5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide

C14H18FN3O2 — CID 64824712

IUPAC5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NC(=O)C2CCCCC2N)ccc1F
InChIInChI=1S/C14H18FN3O2/c15-11-6-5-8(7-10(11)13(17)19)18-14(20)9-3-1-2-4-12(9)16/h5-7,9,12H,1-4,16H2,(H2,17,19)(H,18,20)
InChIKeyOGSRFDHDEKWNKF-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.38
Rot. Bonds3

About 5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide

5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide (PubChem CID 64824712) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
PubChem CID64824712
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NC(=O)C2CCCCC2N)ccc1F
InChIInChI=1S/C14H18FN3O2/c15-11-6-5-8(7-10(11)13(17)19)18-14(20)9-3-1-2-4-12(9)16/h5-7,9,12H,1-4,16H2,(H2,17,19)(H,18,20)
InChIKeyOGSRFDHDEKWNKF-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

5-[(2-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide
CID 64823543
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 163395275
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
2-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 64823330
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085
N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide?
The IUPAC name of 5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide (CID 64824712) is 5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide?
The canonical SMILES for 5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide is NC(=O)c1cc(NC(=O)C2CCCCC2N)ccc1F.
What is the InChIKey of 5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide?
The InChIKey is OGSRFDHDEKWNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-6-5-8(7-10(11)13(17)19)18-14(20)9-3-1-2-4-12(9)16/h5-7,9,12H,1-4,16H2,(H2,17,19)(H,18,20).
What are the key properties of 5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide?
5-[(2-aminocyclohexanecarbonyl)amino]-2-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 5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide is sourced from PubChem (CID 64824712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).