N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide

C24H21N3O3 — CID 60529287

IUPACN-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2cc3ccccc3n2C)c1
InChIInChI=1S/C24H21N3O3/c1-27-21-13-6-3-8-16(21)14-22(27)24(29)26-20-12-5-4-11-19(20)23(28)25-17-9-7-10-18(15-17)30-2/h3-15H,1-2H3,(H,25,28)(H,26,29)
InChIKeyZHSPGVIWJHQWKE-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.69
Rot. Bonds5

About N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide

N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide (PubChem CID 60529287) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide
PubChem CID60529287
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2cc3ccccc3n2C)c1
InChIInChI=1S/C24H21N3O3/c1-27-21-13-6-3-8-16(21)14-22(27)24(29)26-20-12-5-4-11-19(20)23(28)25-17-9-7-10-18(15-17)30-2/h3-15H,1-2H3,(H,25,28)(H,26,29)
InChIKeyZHSPGVIWJHQWKE-UHFFFAOYSA-N
XLogP4.69
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
CID 51257940
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
N-(3-acetamidophenyl)-5-methoxy-1-methylindole-2-carboxamide
CID 110861255
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 86868998
1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide
CID 166206735
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 55630453
N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-methylindole-2-carboxamide
CID 71709227
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 3548121

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide (CID 60529287) is N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide is COc1cccc(NC(=O)c2ccccc2NC(=O)c2cc3ccccc3n2C)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide?
The InChIKey is ZHSPGVIWJHQWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-27-21-13-6-3-8-16(21)14-22(27)24(29)26-20-12-5-4-11-19(20)23(28)25-17-9-7-10-18(15-17)30-2/h3-15H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide?
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 60529287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).