2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide

C13H16ClFN2O — CID 64822915

IUPAC2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O/c14-8-5-6-10(15)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h5-7,9,11H,1-4,16H2,(H,17,18)
InChIKeyXWXSDYVMGUWOGF-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.94
Rot. Bonds2

About 2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide

2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 64822915) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID64822915
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O/c14-8-5-6-10(15)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h5-7,9,11H,1-4,16H2,(H,17,18)
InChIKeyXWXSDYVMGUWOGF-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64824097
3-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64823949
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 64817565
2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide
CID 64822911
2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64824996
5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
CID 64824712
2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574334
2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822363
2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 64824294
cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 163395275

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide (CID 64822915) is 2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide is NC1CCCCC1C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is XWXSDYVMGUWOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c14-8-5-6-10(15)12(7-8)17-13(18)9-3-1-2-4-11(9)16/h5-7,9,11H,1-4,16H2,(H,17,18).
What are the key properties of 2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide?
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64822915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).