N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide

C13H16ClFN2O — CID 62313125

IUPACN-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
SMILESNC1CCC(NC(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C13H16ClFN2O/c14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h1,6-7,9-10H,2-5,16H2,(H,17,18)
InChIKeyWEFHKFYUPFNLFK-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.48
Rot. Bonds2

About N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide

N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide (PubChem CID 62313125) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
PubChem CID62313125
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC NameN-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
SMILESNC1CCC(NC(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C13H16ClFN2O/c14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h1,6-7,9-10H,2-5,16H2,(H,17,18)
InChIKeyWEFHKFYUPFNLFK-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
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N-(4-aminocyclohexyl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119475380
N-(4-aminocyclohexyl)-4-chloro-2-nitrobenzamide
CID 62313306
4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide
CID 46548528
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide
CID 159465894
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide (CID 62313125) is N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide is NC1CCC(NC(=O)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide?
The InChIKey is WEFHKFYUPFNLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h1,6-7,9-10H,2-5,16H2,(H,17,18).
What are the key properties of N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide?
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide has a molecular weight of 270.73 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 62313125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).