3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide

C14H18FN3O2 — CID 43706072

IUPAC3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C14H18FN3O2/c15-10-5-4-9(12(16)19)8-11(10)18-13(20)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2,(H2,16,19)(H,18,20)
InChIKeyMXHBVBQAWGDCSJ-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.52
Rot. Bonds3

About 3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide

3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide (PubChem CID 43706072) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
PubChem CID43706072
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C14H18FN3O2/c15-10-5-4-9(12(16)19)8-11(10)18-13(20)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2,(H2,16,19)(H,18,20)
InChIKeyMXHBVBQAWGDCSJ-UHFFFAOYSA-N
XLogP1.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide
CID 65464421
1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
CID 62816762
N-(5-carbamoyl-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119727613
4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide
CID 115293838
4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide
CID 114817334
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761
1-amino-N-(2-fluoro-4,5-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 119320413
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
1-amino-N-(2,4-difluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 43709912
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide?
The IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide (CID 43706072) is 3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide.
What is the SMILES notation for 3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide?
The canonical SMILES for 3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide is NC(=O)c1ccc(F)c(NC(=O)C2(N)CCCCC2)c1.
What is the InChIKey of 3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide?
The InChIKey is MXHBVBQAWGDCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-10-5-4-9(12(16)19)8-11(10)18-13(20)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2,(H2,16,19)(H,18,20).
What are the key properties of 3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide?
3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide has a molecular weight of 279.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide is sourced from PubChem (CID 43706072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).