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

C14H18FN3O2 — CID 60849041

IUPAC3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C14H18FN3O2/c15-11-6-3-9(13(17)19)7-12(11)18-14(20)8-1-4-10(16)5-2-8/h3,6-8,10H,1-2,4-5,16H2,(H2,17,19)(H,18,20)
InChIKeyMIZGTQIBGBABNL-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.38
Rot. Bonds3

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

3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide (PubChem CID 60849041) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
PubChem CID60849041
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C14H18FN3O2/c15-11-6-3-9(13(17)19)7-12(11)18-14(20)8-1-4-10(16)5-2-8/h3,6-8,10H,1-2,4-5,16H2,(H2,17,19)(H,18,20)
InChIKeyMIZGTQIBGBABNL-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550192
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
4-amino-N-(5-carbamoyl-2-fluorophenyl)oxolane-3-carboxamide
CID 66239433
5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687973
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide
CID 79511251
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151145
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
4-amino-N-(2,4-difluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 60850684

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide?
The IUPAC name of 3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide (CID 60849041) is 3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide.
What is the SMILES notation for 3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide?
The canonical SMILES for 3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide is NC(=O)c1ccc(F)c(NC(=O)C2CCC(N)CC2)c1.
What is the InChIKey of 3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide?
The InChIKey is MIZGTQIBGBABNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-6-3-9(13(17)19)7-12(11)18-14(20)8-1-4-10(16)5-2-8/h3,6-8,10H,1-2,4-5,16H2,(H2,17,19)(H,18,20).
What are the key properties of 3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide?
3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide has a molecular weight of 279.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide is sourced from PubChem (CID 60849041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).