N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide

C24H21ClN2O2 — CID 46334572

IUPACN-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-29-21-10-2-16(3-11-21)4-13-24(28)26-20-8-5-17(6-9-20)23-15-18-14-19(25)7-12-22(18)27-23/h2-3,5-12,14-15,27H,4,13H2,1H3,(H,26,28)
InChIKeyLKHVQKDYDRUZQD-UHFFFAOYSA-N
MW404.90 g/mol
LogP6.07
Rot. Bonds6

About N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide

N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 46334572) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID46334572
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-29-21-10-2-16(3-11-21)4-13-24(28)26-20-8-5-17(6-9-20)23-15-18-14-19(25)7-12-22(18)27-23/h2-3,5-12,14-15,27H,4,13H2,1H3,(H,26,28)
InChIKeyLKHVQKDYDRUZQD-UHFFFAOYSA-N
XLogP6.07
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide
CID 46334596
1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 46380914
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide
CID 20970846
2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide
CID 46334526
5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46381008
2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide
CID 10389580
N-(4-chlorophenyl)-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110298893

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide (CID 46334572) is N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is LKHVQKDYDRUZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-29-21-10-2-16(3-11-21)4-13-24(28)26-20-8-5-17(6-9-20)23-15-18-14-19(25)7-12-22(18)27-23/h2-3,5-12,14-15,27H,4,13H2,1H3,(H,26,28).
What are the key properties of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 404.90 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 46334572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).