(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone

C22H18ClNO — CID 71461422

IUPAC(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21
InChIInChI=1S/C22H18ClNO/c1-2-13-24-14-19(17-9-5-6-10-21(17)24)22(25)18-11-12-20(23)16-8-4-3-7-15(16)18/h3-12,14H,2,13H2,1H3
InChIKeyKGXJBLWHKBDEOZ-UHFFFAOYSA-N
MW347.85 g/mol
LogP6.09
Rot. Bonds4

About (4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone

(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone (PubChem CID 71461422) has the molecular formula C22H18ClNO and a molecular weight of 347.85 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
PubChem CID71461422
Molecular FormulaC22H18ClNO
Molecular Weight347.85 g/mol
Exact Mass347.11
IUPAC Name(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21
InChIInChI=1S/C22H18ClNO/c1-2-13-24-14-19(17-9-5-6-10-21(17)24)22(25)18-11-12-20(23)16-8-4-3-7-15(16)18/h3-12,14H,2,13H2,1H3
InChIKeyKGXJBLWHKBDEOZ-UHFFFAOYSA-N
XLogP6.09
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
(2-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 11152088
5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid
CID 91864527
[1-[(3S)-3-chloropentyl]indol-3-yl]-naphthalen-1-ylmethanone
CID 125181380
[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 165361507
[1-[(4S)-4-hydroxypentyl]indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 97301455
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
[1-(2-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 91707981
(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857137

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The IUPAC name of (4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone (CID 71461422) is (4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone is CCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The InChIKey is KGXJBLWHKBDEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO/c1-2-13-24-14-19(17-9-5-6-10-21(17)24)22(25)18-11-12-20(23)16-8-4-3-7-15(16)18/h3-12,14H,2,13H2,1H3.
What are the key properties of (4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone has a molecular weight of 347.85 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone is sourced from PubChem (CID 71461422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).