2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide

C14H19FN2O2 — CID 64822720

IUPAC2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCC2N)cc1F
InChIInChI=1S/C14H19FN2O2/c1-19-13-7-6-9(8-11(13)15)17-14(18)10-4-2-3-5-12(10)16/h6-8,10,12H,2-5,16H2,1H3,(H,17,18)
InChIKeyLGMXSMJBUOXURD-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide

2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 64822720) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID64822720
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCCC2N)cc1F
InChIInChI=1S/C14H19FN2O2/c1-19-13-7-6-9(8-11(13)15)17-14(18)10-4-2-3-5-12(10)16/h6-8,10,12H,2-5,16H2,1H3,(H,17,18)
InChIKeyLGMXSMJBUOXURD-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824304
N-(5-acetamido-2-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824915
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
2-amino-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119688371
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
CID 64824712
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
cis-(1S,2R)-2-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 163395275
2-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64823768
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide (CID 64822720) is 2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCCCC2N)cc1F.
What is the InChIKey of 2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is LGMXSMJBUOXURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-13-7-6-9(8-11(13)15)17-14(18)10-4-2-3-5-12(10)16/h6-8,10,12H,2-5,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide?
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64822720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).