2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide

C16H13FN4O2 — CID 24987225

IUPAC2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3ccc(F)cc3)ccc2c1C(N)=O
InChIInChI=1S/C16H13FN4O2/c17-10-4-1-8(2-5-10)9-3-6-11-12(7-9)20-15(21-16(19)23)13(11)14(18)22/h1-7,20H,(H2,18,22)(H3,19,21,23)
InChIKeyCVPYIJYJNVCPFH-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.56
Rot. Bonds3

About 2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide

2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide (PubChem CID 24987225) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide
PubChem CID24987225
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3ccc(F)cc3)ccc2c1C(N)=O
InChIInChI=1S/C16H13FN4O2/c17-10-4-1-8(2-5-10)9-3-6-11-12(7-9)20-15(21-16(19)23)13(11)14(18)22/h1-7,20H,(H2,18,22)(H3,19,21,23)
InChIKeyCVPYIJYJNVCPFH-UHFFFAOYSA-N
XLogP2.56
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide
CID 46173035
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
6-Fluoro-2-(4-piperidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
CID 16666250
2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide
CID 16666333
2,3-Dimethyl-4-[3-[(1-oxo-2-propen-1-yl)amino]phenyl]-1H-indole-7-carboxamide
CID 121293751
2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
CID 121293832
2,3-dimethyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
CID 121293882
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
2-Amino-5-(Phenylsulfanyl)-3,9-Dihydro-4h-Pyrimido[4,5-B]indol-4-One
CID 135566834
2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3-(3-methylphenyl)quinazolin-4(3H)-one
CID 5725295
1-hydroxy-2-methyl-N-phenyl-6-(trifluoromethyl)indole-3-carboxamide
CID 901336
2-(4-Trifluoromethyl-phenyl)-1H-benzoimidazole-4-carboxylic acid amide
CID 10804503

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide (CID 24987225) is 2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide is NC(=O)Nc1[nH]c2cc(-c3ccc(F)cc3)ccc2c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide?
The InChIKey is CVPYIJYJNVCPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-10-4-1-8(2-5-10)9-3-6-11-12(7-9)20-15(21-16(19)23)13(11)14(18)22/h1-7,20H,(H2,18,22)(H3,19,21,23).
What are the key properties of 2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-(4-fluorophenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 24987225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).