N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide

C23H29ClN2O — CID 25191104

IUPACN-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
SMILESCc1cc2c(c(C)c1NC(=O)CC(C)(C)C)CCN2Cc1cccc(Cl)c1
InChIInChI=1S/C23H29ClN2O/c1-15-11-20-19(16(2)22(15)25-21(27)13-23(3,4)5)9-10-26(20)14-17-7-6-8-18(24)12-17/h6-8,11-12H,9-10,13-14H2,1-5H3,(H,25,27)
InChIKeyJCERMRWXGCGRHU-UHFFFAOYSA-N
MW384.95 g/mol
LogP5.89
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide

N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide (PubChem CID 25191104) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
PubChem CID25191104
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide
SMILESCc1cc2c(c(C)c1NC(=O)CC(C)(C)C)CCN2Cc1cccc(Cl)c1
InChIInChI=1S/C23H29ClN2O/c1-15-11-20-19(16(2)22(15)25-21(27)13-23(3,4)5)9-10-26(20)14-17-7-6-8-18(24)12-17/h6-8,11-12H,9-10,13-14H2,1-5H3,(H,25,27)
InChIKeyJCERMRWXGCGRHU-UHFFFAOYSA-N
XLogP5.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.95
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 89204478
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1-[4,6-dimethyl-1-(pyridin-3-ylmethyl)-2,3-dihydroindol-5-yl]-4,4-dimethylpentan-2-one
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N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide (CID 25191104) is N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide is Cc1cc2c(c(C)c1NC(=O)CC(C)(C)C)CCN2Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
The InChIKey is JCERMRWXGCGRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O/c1-15-11-20-19(16(2)22(15)25-21(27)13-23(3,4)5)9-10-26(20)14-17-7-6-8-18(24)12-17/h6-8,11-12H,9-10,13-14H2,1-5H3,(H,25,27).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide?
N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide has a molecular weight of 384.95 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-4,6-dimethyl-2,3-dihydroindol-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 25191104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).