6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide

C18H17ClN2O — CID 113207554

IUPAC6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H17ClN2O/c19-15-9-8-14-11-17(21-16(14)12-15)18(22)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,21H,4,7,10H2,(H,20,22)
InChIKeyKNKJMGHCIZVZNH-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.18
Rot. Bonds5

About 6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide

6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide (PubChem CID 113207554) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
PubChem CID113207554
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H17ClN2O/c19-15-9-8-14-11-17(21-16(14)12-15)18(22)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,21H,4,7,10H2,(H,20,22)
InChIKeyKNKJMGHCIZVZNH-UHFFFAOYSA-N
XLogP4.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207440
3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
CID 75417841
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529557
methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]-4-phenylbutanoate
CID 70120137
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207545
6-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1H-indole-2-carboxamide
CID 60513219
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166373419
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide (CID 113207554) is 6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide is O=C(NCCCc1ccccc1)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The InChIKey is KNKJMGHCIZVZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-15-9-8-14-11-17(21-16(14)12-15)18(22)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,21H,4,7,10H2,(H,20,22).
What are the key properties of 6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113207554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).