N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C21H22F3NO2 — CID 112820407

IUPACN-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(c1cccc(C(F)(F)F)c1)N(C(=O)CCc1ccccc1O)C1CC1
InChIInChI=1S/C21H22F3NO2/c1-14(16-6-4-7-17(13-16)21(22,23)24)25(18-10-11-18)20(27)12-9-15-5-2-3-8-19(15)26/h2-8,13-14,18,26H,9-12H2,1H3
InChIKeyZGQSKFIAEIUAKT-UHFFFAOYSA-N
MW377.41 g/mol
LogP5.10
Rot. Bonds6

About N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 112820407) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID112820407
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(c1cccc(C(F)(F)F)c1)N(C(=O)CCc1ccccc1O)C1CC1
InChIInChI=1S/C21H22F3NO2/c1-14(16-6-4-7-17(13-16)21(22,23)24)25(18-10-11-18)20(27)12-9-15-5-2-3-8-19(15)26/h2-8,13-14,18,26H,9-12H2,1H3
InChIKeyZGQSKFIAEIUAKT-UHFFFAOYSA-N
XLogP5.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99849482
4-amino-N-cyclopropyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120589542
2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 56684344
3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 120611042
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 56684341
N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55595162
N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52573052
N-cyclopropyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52573051
3-acetamido-3-(4-chlorophenyl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55594929
N-cyclopropyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 55594132
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181796
N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119297142

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 112820407) is N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is CC(c1cccc(C(F)(F)F)c1)N(C(=O)CCc1ccccc1O)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is ZGQSKFIAEIUAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2/c1-14(16-6-4-7-17(13-16)21(22,23)24)25(18-10-11-18)20(27)12-9-15-5-2-3-8-19(15)26/h2-8,13-14,18,26H,9-12H2,1H3.
What are the key properties of N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 377.41 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 112820407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).