N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide

C17H15ClF3NO — CID 110445853

IUPACN-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)(NC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClF3NO/c1-16(2,13-4-3-5-14(18)10-13)22-15(23)11-6-8-12(9-7-11)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyKOUGBTLZCNVGBX-UHFFFAOYSA-N
MW341.76 g/mol
LogP5.02
Rot. Bonds3

About N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide

N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 110445853) has the molecular formula C17H15ClF3NO and a molecular weight of 341.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID110445853
Molecular FormulaC17H15ClF3NO
Molecular Weight341.76 g/mol
Exact Mass341.08
IUPAC NameN-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)(NC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClF3NO/c1-16(2,13-4-3-5-14(18)10-13)22-15(23)11-6-8-12(9-7-11)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyKOUGBTLZCNVGBX-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.76
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide
CID 75372727
N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide
CID 110443744
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
N-[2-(3-chlorophenyl)propan-2-yl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110446431
5-[(3-chlorobenzoyl)amino]-N-[2-(3-chlorophenyl)propan-2-yl]thiadiazole-4-carboxamide
CID 155256824
CID 68547080
CID 68547080
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
N-(2-bromo-5-chlorophenyl)-4-(trifluoromethyl)benzamide
CID 81261644
1-[2-(3-chlorophenyl)propan-2-yl]-3-prop-2-enylurea
CID 110490627
4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 120563069
2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185997

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide (CID 110445853) is N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide is CC(C)(NC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is KOUGBTLZCNVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO/c1-16(2,13-4-3-5-14(18)10-13)22-15(23)11-6-8-12(9-7-11)17(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide?
N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 341.76 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110445853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).