benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride

C71H46Cl5N3O5 — CID 167609374

IUPACbenzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride
SMILESClc1ccc2[nH]ccc2c1.O=C(Cl)c1cccc2ccccc12.O=C(Cl)c1ccccc1.O=C(c1cccc2ccccc12)c1c[nH]c2ccc(Cl)cc12.O=C(c1cccc2ccccc12)c1cn(C(=O)c2ccccc2)c2ccc(Cl)cc12
InChIInChI=1S/C26H16ClNO2.C19H12ClNO.C11H7ClO.C8H6ClN.C7H5ClO/c27-19-13-14-24-22(15-19)23(16-28(24)26(30)18-8-2-1-3-9-18)25(29)21-12-6-10-17-7-4-5-11-20(17)21;20-13-8-9-18-16(10-13)17(11-21-18)19(22)15-7-3-5-12-4-1-2-6-14(12)15;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;9-7-1-2-8-6(5-7)3-4-10-8;8-7(9)6-4-2-1-3-5-6/h1-16H;1-11,21H;1-7H;1-5,10H;1-5H
InChIKeyKVDFCAIWRJTBHW-UHFFFAOYSA-N
MW1198.43 g/mol
LogP19.68
Rot. Bonds7

About benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride

benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride (PubChem CID 167609374) has the molecular formula C71H46Cl5N3O5 and a molecular weight of 1198.43 g/mol. Its IUPAC name is benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride.

Molecular Properties

Compound Namebenzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride
PubChem CID167609374
Molecular FormulaC71H46Cl5N3O5
Molecular Weight1198.43 g/mol
Exact Mass1195.19
IUPAC Namebenzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride
SMILESClc1ccc2[nH]ccc2c1.O=C(Cl)c1cccc2ccccc12.O=C(Cl)c1ccccc1.O=C(c1cccc2ccccc12)c1c[nH]c2ccc(Cl)cc12.O=C(c1cccc2ccccc12)c1cn(C(=O)c2ccccc2)c2ccc(Cl)cc12
InChIInChI=1S/C26H16ClNO2.C19H12ClNO.C11H7ClO.C8H6ClN.C7H5ClO/c27-19-13-14-24-22(15-19)23(16-28(24)26(30)18-8-2-1-3-9-18)25(29)21-12-6-10-17-7-4-5-11-20(17)21;20-13-8-9-18-16(10-13)17(11-21-18)19(22)15-7-3-5-12-4-1-2-6-14(12)15;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;9-7-1-2-8-6(5-7)3-4-10-8;8-7(9)6-4-2-1-3-5-6/h1-16H;1-11,21H;1-7H;1-5,10H;1-5H
InChIKeyKVDFCAIWRJTBHW-UHFFFAOYSA-N
XLogP19.68
TPSA121.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.43
LogP ≤ 519.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride with MolForge

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Related Compounds

2-{5-[4-(5-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-pentyl}-isoindole-1,3-dione
CID 44353233
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-3-(3-chlorobenzyl)benzamide
CID 86699420
2-[3-(5-chloro-1H-indol-3-yl)propyl]-1H-isoindole-1,3(2H)-dione
CID 739306
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 127045065
1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione
CID 11023806
1-(5-Chloro-1H-indol-3-yl)-2-(2,3-dihydro-indol-1-yl)-ethane-1,2-dione
CID 12187420
1-(5-Chloro-2,3-dihydro-indol-1-yl)-2-(1H-indol-3-yl)-ethane-1,2-dione
CID 12187423
2-(5-chloro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 44310941
1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione
CID 45271900
1-(6-chloro-9H-carbazole-1-carbonyl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 118726493
N-1-Adamantyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 364463
2-[[(2S)-2-[[5-chloro-2-(naphthalene-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethyl-trimethylazanium iodide
CID 172466317

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride?
The IUPAC name of benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride (CID 167609374) is benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride.
What is the SMILES notation for benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride?
The canonical SMILES for benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride is Clc1ccc2[nH]ccc2c1.O=C(Cl)c1cccc2ccccc12.O=C(Cl)c1ccccc1.O=C(c1cccc2ccccc12)c1c[nH]c2ccc(Cl)cc12.O=C(c1cccc2ccccc12)c1cn(C(=O)c2ccccc2)c2ccc(Cl)cc12.
What is the InChIKey of benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride?
The InChIKey is KVDFCAIWRJTBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClNO2.C19H12ClNO.C11H7ClO.C8H6ClN.C7H5ClO/c27-19-13-14-24-22(15-19)23(16-28(24)26(30)18-8-2-1-3-9-18)25(29)21-12-6-10-17-7-4-5-11-20(17)21;20-13-8-9-18-16(10-13)17(11-21-18)19(22)15-7-3-5-12-4-1-2-6-14(12)15;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;9-7-1-2-8-6(5-7)3-4-10-8;8-7(9)6-4-2-1-3-5-6/h1-16H;1-11,21H;1-7H;1-5,10H;1-5H.
What are the key properties of benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride?
benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride has a molecular weight of 1198.43 g/mol, XLogP of 19.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;5-chloro-1H-indole;(5-chloro-1H-indol-3-yl)-naphthalen-1-ylmethanone;[5-chloro-3-(naphthalene-1-carbonyl)indol-1-yl]-phenylmethanone;naphthalene-1-carbonyl chloride is sourced from PubChem (CID 167609374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).