2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide

C29H23N3O3 — CID 10389580

IUPAC2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cc4cc(C(=O)Nc5ccccc5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C29H23N3O3/c1-35-25-14-9-20(10-15-25)28(33)31-24-12-7-19(8-13-24)27-18-22-17-21(11-16-26(22)32-27)29(34)30-23-5-3-2-4-6-23/h2-18,32H,1H3,(H,30,34)(H,31,33)
InChIKeyCNAPPACCYNLPOF-UHFFFAOYSA-N
MW461.52 g/mol
LogP6.35
Rot. Bonds6

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

2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide (PubChem CID 10389580) has the molecular formula C29H23N3O3 and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide
PubChem CID10389580
Molecular FormulaC29H23N3O3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC Name2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cc4cc(C(=O)Nc5ccccc5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C29H23N3O3/c1-35-25-14-9-20(10-15-25)28(33)31-24-12-7-19(8-13-24)27-18-22-17-21(11-16-26(22)32-27)29(34)30-23-5-3-2-4-6-23/h2-18,32H,1H3,(H,30,34)(H,31,33)
InChIKeyCNAPPACCYNLPOF-UHFFFAOYSA-N
XLogP6.35
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334542
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
N-[4-(1H-indol-2-yl)phenyl]-1H-indazole-5-carboxamide
CID 141188034
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614337
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 46380914
N-[2-[4-(pyridine-4-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10002974
1-(2-phenyl-1H-indol-5-yl)ethanone
CID 44542857
4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide
CID 132564460
2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-N-pyridin-3-yl-1H-indole-5-carboxamide
CID 10366612
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide
CID 46334597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide?
The IUPAC name of 2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide (CID 10389580) is 2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide is COc1ccc(C(=O)Nc2ccc(-c3cc4cc(C(=O)Nc5ccccc5)ccc4[nH]3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide?
The InChIKey is CNAPPACCYNLPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3/c1-35-25-14-9-20(10-15-25)28(33)31-24-12-7-19(8-13-24)27-18-22-17-21(11-16-26(22)32-27)29(34)30-23-5-3-2-4-6-23/h2-18,32H,1H3,(H,30,34)(H,31,33).
What are the key properties of 2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide?
2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 6.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide is sourced from PubChem (CID 10389580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).