N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C19H17ClF3NO — CID 69342623

IUPACN-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(C2CC2)cc1Cl
InChIInChI=1S/C19H17ClF3NO/c20-17-10-14(13-4-5-13)6-7-15(17)11-24-18(25)9-12-2-1-3-16(8-12)19(21,22)23/h1-3,6-8,10,13H,4-5,9,11H2,(H,24,25)
InChIKeyIKVORNKMMZREGL-UHFFFAOYSA-N
MW367.80 g/mol
LogP5.10
Rot. Bonds5

About N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 69342623) has the molecular formula C19H17ClF3NO and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID69342623
Molecular FormulaC19H17ClF3NO
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC NameN-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(C2CC2)cc1Cl
InChIInChI=1S/C19H17ClF3NO/c20-17-10-14(13-4-5-13)6-7-15(17)11-24-18(25)9-12-2-1-3-16(8-12)19(21,22)23/h1-3,6-8,10,13H,4-5,9,11H2,(H,24,25)
InChIKeyIKVORNKMMZREGL-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.80
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
2-chloro-4-methyl-N-(3-phenylpropyl)benzamide
CID 2234904
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 15983441
3-chloro-N-cyclopropyl-5-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide
CID 44479929
6-chloro-N3-cyclopropyl-N4'-(cyclopropylmethyl)-1,1'-biphenyl-3,4'-dicarboxamide
CID 44578564
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 890251
N-(3-chlorobenzyl)-3-(trifluoromethyl)benzenecarboxamide
CID 1490150
N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2679569
N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 2681219
2-chloro-N-[3-oxo-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propyl]benzamide
CID 8151735
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]-N-piperidin-4-ylpropanamide
CID 44322525
2-(4-tert-butylphenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 53319717

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 69342623) is N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(C2CC2)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IKVORNKMMZREGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO/c20-17-10-14(13-4-5-13)6-7-15(17)11-24-18(25)9-12-2-1-3-16(8-12)19(21,22)23/h1-3,6-8,10,13H,4-5,9,11H2,(H,24,25).
What are the key properties of N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 367.80 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-cyclopropylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 69342623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).