N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide

C18H17ClN2O — CID 9181387

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
SMILESC[C@H](NC(=O)c1cn(C)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O/c1-12(13-6-5-7-14(19)10-13)20-18(22)16-11-21(2)17-9-4-3-8-15(16)17/h3-12H,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyMTQCCXFQPKQXKR-LBPRGKRZSA-N
MW312.80 g/mol
LogP4.32
Rot. Bonds3

About N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide (PubChem CID 9181387) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
PubChem CID9181387
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
SMILESC[C@H](NC(=O)c1cn(C)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O/c1-12(13-6-5-7-14(19)10-13)20-18(22)16-11-21(2)17-9-4-3-8-15(16)17/h3-12H,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyMTQCCXFQPKQXKR-LBPRGKRZSA-N
XLogP4.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9152128
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7944572
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
N-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30131803
N-[1-(3-chlorophenyl)ethyl]quinoline-5-carboxamide
CID 24605147
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
CID 103741487
4-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide
CID 142600316
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103336877

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide (CID 9181387) is N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide is C[C@H](NC(=O)c1cn(C)c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide?
The InChIKey is MTQCCXFQPKQXKR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-12(13-6-5-7-14(19)10-13)20-18(22)16-11-21(2)17-9-4-3-8-15(16)17/h3-12H,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 9181387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).