N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide

C20H19ClN2O3 — CID 34276921

IUPACN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)Nc1cc2c(cc1Cl)OCCCO2
InChIInChI=1S/C20H19ClN2O3/c1-13-9-14-5-2-3-6-17(14)23(13)12-20(24)22-16-11-19-18(10-15(16)21)25-7-4-8-26-19/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,22,24)
InChIKeyCQCVVZBGDYKGCU-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.40
Rot. Bonds3

About N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide (PubChem CID 34276921) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide
PubChem CID34276921
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)Nc1cc2c(cc1Cl)OCCCO2
InChIInChI=1S/C20H19ClN2O3/c1-13-9-14-5-2-3-6-17(14)23(13)12-20(24)22-16-11-19-18(10-15(16)21)25-7-4-8-26-19/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,22,24)
InChIKeyCQCVVZBGDYKGCU-UHFFFAOYSA-N
XLogP4.40
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-dimethyl-3-[[2-(2-methylindol-1-yl)acetyl]amino]benzamide
CID 55603749
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16602077
N-(4-chloro-2-methylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 4150176
2-chloro-5-[[2-(2-methylindol-1-yl)acetyl]amino]benzamide
CID 30806248
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 41163844
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-phenylpropanamide
CID 17400861
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30729320
2-anilino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 37229265
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
CID 9090072
2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-N-(2-chloro-4-methylphenyl)acetamide
CID 37223637
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide
CID 17413257
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861031

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide (CID 34276921) is N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide is Cc1cc2ccccc2n1CC(=O)Nc1cc2c(cc1Cl)OCCCO2.
What is the InChIKey of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide?
The InChIKey is CQCVVZBGDYKGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13-9-14-5-2-3-6-17(14)23(13)12-20(24)22-16-11-19-18(10-15(16)21)25-7-4-8-26-19/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,22,24).
What are the key properties of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide?
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide has a molecular weight of 370.84 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 34276921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).