2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide

C23H20N4O2 — CID 24676897

IUPAC2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-15-21(19-9-5-6-10-20(19)24-15)22(28)25-17-11-13-18(14-12-17)27-23(29)26-16-7-3-2-4-8-16/h2-14,24H,1H3,(H,25,28)(H2,26,27,29)
InChIKeyZKUQTZYSFFYWPR-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.37
Rot. Bonds4

About 2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide

2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide (PubChem CID 24676897) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
PubChem CID24676897
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-15-21(19-9-5-6-10-20(19)24-15)22(28)25-17-11-13-18(14-12-17)27-23(29)26-16-7-3-2-4-8-16/h2-14,24H,1H3,(H,25,28)(H2,26,27,29)
InChIKeyZKUQTZYSFFYWPR-UHFFFAOYSA-N
XLogP5.37
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
2-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1H-indole-3-carboxamide
CID 26739273
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
CID 38715449
2-methyl-N-quinolin-6-yl-1H-indole-3-carboxamide
CID 60555892
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide
CID 24515939
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide
CID 166187686
CID 170645728
CID 170645728

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide (CID 24676897) is 2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide?
The InChIKey is ZKUQTZYSFFYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-21(19-9-5-6-10-20(19)24-15)22(28)25-17-11-13-18(14-12-17)27-23(29)26-16-7-3-2-4-8-16/h2-14,24H,1H3,(H,25,28)(H2,26,27,29).
What are the key properties of 2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide?
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 5.37, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 24676897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).