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

C24H20ClN3O3 — CID 46323222

IUPAC5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C24H20ClN3O3/c1-14-5-3-4-6-18(14)23(29)28-20-13-17(8-10-22(20)31-2)26-24(30)21-12-15-11-16(25)7-9-19(15)27-21/h3-13,27H,1-2H3,(H,26,30)(H,28,29)
InChIKeyPCPMDUNKUDDILU-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.64
Rot. Bonds5

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

5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide (PubChem CID 46323222) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide
PubChem CID46323222
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C24H20ClN3O3/c1-14-5-3-4-6-18(14)23(29)28-20-13-17(8-10-22(20)31-2)26-24(30)21-12-15-11-16(25)7-9-19(15)27-21/h3-13,27H,1-2H3,(H,26,30)(H,28,29)
InChIKeyPCPMDUNKUDDILU-UHFFFAOYSA-N
XLogP5.64
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
CID 55556002
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
CID 113207257
N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 9068762
4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
CID 52701764
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide
CID 7679189
5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 55556193
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide (CID 46323222) is 5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide is COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1NC(=O)c1ccccc1C.
What is the InChIKey of 5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide?
The InChIKey is PCPMDUNKUDDILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-14-5-3-4-6-18(14)23(29)28-20-13-17(8-10-22(20)31-2)26-24(30)21-12-15-11-16(25)7-9-19(15)27-21/h3-13,27H,1-2H3,(H,26,30)(H,28,29).
What are the key properties of 5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide?
5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 5.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46323222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).