3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide

C16H21F3N2O3 — CID 119717609

IUPAC3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCC(N)C2)cc1OCC(F)(F)F
InChIInChI=1S/C16H21F3N2O3/c1-23-13-6-5-12(8-14(13)24-9-16(17,18)19)21-15(22)10-3-2-4-11(20)7-10/h5-6,8,10-11H,2-4,7,9,20H2,1H3,(H,21,22)
InChIKeyUNLBREPSDPVCKT-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.09
Rot. Bonds5

About 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 119717609) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID119717609
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCC(N)C2)cc1OCC(F)(F)F
InChIInChI=1S/C16H21F3N2O3/c1-23-13-6-5-12(8-14(13)24-9-16(17,18)19)21-15(22)10-3-2-4-11(20)7-10/h5-6,8,10-11H,2-4,7,9,20H2,1H3,(H,21,22)
InChIKeyUNLBREPSDPVCKT-UHFFFAOYSA-N
XLogP3.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119794829
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119286140
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119698618
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119702541
1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825817
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide
CID 119739551
(2R,3S,5S)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide
CID 125141478
(2R,3S,5R)-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3,5-dimethyloxolane-2-carboxamide
CID 125141476
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide (CID 119717609) is 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCCC(N)C2)cc1OCC(F)(F)F.
What is the InChIKey of 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is UNLBREPSDPVCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-23-13-6-5-12(8-14(13)24-9-16(17,18)19)21-15(22)10-3-2-4-11(20)7-10/h5-6,8,10-11H,2-4,7,9,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119717609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).