5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide

C24H20ClN3O3 — CID 131932809

IUPAC5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C24H20ClN3O3/c1-31-14-21(29)26-17-8-10-18(11-9-17)27-24(30)23-22(15-5-3-2-4-6-15)19-13-16(25)7-12-20(19)28-23/h2-13,28H,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyIGQLKNTWEZMXCZ-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.33
Rot. Bonds6

About 5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide

5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 131932809) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide
PubChem CID131932809
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C24H20ClN3O3/c1-31-14-21(29)26-17-8-10-18(11-9-17)27-24(30)23-22(15-5-3-2-4-6-15)19-13-16(25)7-12-20(19)28-23/h2-13,28H,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyIGQLKNTWEZMXCZ-UHFFFAOYSA-N
XLogP5.33
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N,3-diphenyl-1H-indole-2-carboxamide
CID 69244689
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide
CID 91094574
N-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
CID 44561346
N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide
CID 20970846
N-[(E)-(4-butoxyphenyl)methylideneamino]-5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 6878086
5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide
CID 10644998
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966053
5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide
CID 56882195
[2-[[(5-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 5-chloro-2-methoxybenzoate
CID 126401329
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
methyl 3,5-diphenyl-1H-indole-2-carboxylate
CID 135386958

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide (CID 131932809) is 5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide is COCC(=O)Nc1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1.
What is the InChIKey of 5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is IGQLKNTWEZMXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-31-14-21(29)26-17-8-10-18(11-9-17)27-24(30)23-22(15-5-3-2-4-6-15)19-13-16(25)7-12-20(19)28-23/h2-13,28H,14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide?
5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 5.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 131932809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).