3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide

C18H16FN3O2 — CID 53367407

IUPAC3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-10-3-8-14-13(9-10)15(16(21-14)18(24)20-2)22-17(23)11-4-6-12(19)7-5-11/h3-9,21H,1-2H3,(H,20,24)(H,22,23)
InChIKeyKVPHCJLQKZZWQF-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.23
Rot. Bonds3

About 3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide

3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide (PubChem CID 53367407) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide
PubChem CID53367407
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-10-3-8-14-13(9-10)15(16(21-14)18(24)20-2)22-17(23)11-4-6-12(19)7-5-11/h3-9,21H,1-2H3,(H,20,24)(H,22,23)
InChIKeyKVPHCJLQKZZWQF-UHFFFAOYSA-N
XLogP3.23
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[5-methyl-2-(4-methylpiperidine-1-carbonyl)-1H-indol-3-yl]benzamide
CID 46391926
4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391863
3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide
CID 50834469
N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391803
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391919
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
N-[(3,5-difluorophenyl)methyl]-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391848
4-fluoro-N-(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
CID 6417050
3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 46391849
methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate
CID 946980
(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone
CID 82092209
3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 50765509

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide (CID 53367407) is 3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide is CNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide?
The InChIKey is KVPHCJLQKZZWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-10-3-8-14-13(9-10)15(16(21-14)18(24)20-2)22-17(23)11-4-6-12(19)7-5-11/h3-9,21H,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide?
3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 53367407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).