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

C14H19FN2O2 — CID 114839686

IUPAC3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCCC(N)C2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-19-13-8-11(5-6-12(13)15)17-14(18)9-3-2-4-10(16)7-9/h5-6,8-10H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyCBSGMTHFJXYSPF-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.29
Rot. Bonds3

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

3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 114839686) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID114839686
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCCC(N)C2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-19-13-8-11(5-6-12(13)15)17-14(18)9-3-2-4-10(16)7-9/h5-6,8-10H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyCBSGMTHFJXYSPF-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

3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119717609
3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119725618
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide (CID 114839686) is 3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide is COc1cc(NC(=O)C2CCCC(N)C2)ccc1F.
What is the InChIKey of 3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is CBSGMTHFJXYSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-13-8-11(5-6-12(13)15)17-14(18)9-3-2-4-10(16)7-9/h5-6,8-10H,2-4,7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide?
3-amino-N-(4-fluoro-3-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 3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114839686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).