3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide

C14H18F2N2O2 — CID 119725618

IUPAC3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1c(F)cc(NC(=O)C2CCCC(N)C2)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-20-13-11(15)6-10(7-12(13)16)18-14(19)8-3-2-4-9(17)5-8/h6-9H,2-5,17H2,1H3,(H,18,19)
InChIKeyTYCMFCBNBCKZKL-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.43
Rot. Bonds3

About 3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide

3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 119725618) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID119725618
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1c(F)cc(NC(=O)C2CCCC(N)C2)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-20-13-11(15)6-10(7-12(13)16)18-14(19)8-3-2-4-9(17)5-8/h6-9H,2-5,17H2,1H3,(H,18,19)
InChIKeyTYCMFCBNBCKZKL-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119707997
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641644
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119764593
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
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-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119717609

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide (CID 119725618) is 3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide is COc1c(F)cc(NC(=O)C2CCCC(N)C2)cc1F.
What is the InChIKey of 3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is TYCMFCBNBCKZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-20-13-11(15)6-10(7-12(13)16)18-14(19)8-3-2-4-9(17)5-8/h6-9H,2-5,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide?
3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119725618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).