3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide

C16H22F2N2O2 — CID 119812541

IUPAC3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(OC(F)F)c(CNC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C16H22F2N2O2/c1-10-5-6-14(22-16(17)18)12(7-10)9-20-15(21)11-3-2-4-13(19)8-11/h5-7,11,13,16H,2-4,8-9,19H2,1H3,(H,20,21)
InChIKeyUABDIGAXUFWQMK-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.73
Rot. Bonds5

About 3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide

3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119812541) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide
PubChem CID119812541
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(OC(F)F)c(CNC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C16H22F2N2O2/c1-10-5-6-14(22-16(17)18)12(7-10)9-20-15(21)11-3-2-4-13(19)8-11/h5-7,11,13,16H,2-4,8-9,19H2,1H3,(H,20,21)
InChIKeyUABDIGAXUFWQMK-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119766513
3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808680
3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119812538
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119340121
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689646
2-(cyclopropylmethylamino)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
CID 119812552
9-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991503
3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811561
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
3-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811167
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
CID 119812554
(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638174

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide (CID 119812541) is 3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide is Cc1ccc(OC(F)F)c(CNC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is UABDIGAXUFWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-10-5-6-14(22-16(17)18)12(7-10)9-20-15(21)11-3-2-4-13(19)8-11/h5-7,11,13,16H,2-4,8-9,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide?
3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119812541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).