2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide

C19H18ClF3N2O — CID 86716285

IUPAC2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide
SMILESO=C(NCC(CC1CC1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl
InChIInChI=1S/C19H18ClF3N2O/c20-16-4-2-1-3-15(16)18(26)25-11-14(9-12-5-6-12)13-7-8-17(24-10-13)19(21,22)23/h1-4,7-8,10,12,14H,5-6,9,11H2,(H,25,26)
InChIKeyKHWQIZKQWLPKRO-UHFFFAOYSA-N
MW382.81 g/mol
LogP5.07
Rot. Bonds6

About 2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide

2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide (PubChem CID 86716285) has the molecular formula C19H18ClF3N2O and a molecular weight of 382.81 g/mol. Its IUPAC name is 2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide
PubChem CID86716285
Molecular FormulaC19H18ClF3N2O
Molecular Weight382.81 g/mol
Exact Mass382.11
IUPAC Name2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide
SMILESO=C(NCC(CC1CC1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl
InChIInChI=1S/C19H18ClF3N2O/c20-16-4-2-1-3-15(16)18(26)25-11-14(9-12-5-6-12)13-7-8-17(24-10-13)19(21,22)23/h1-4,7-8,10,12,14H,5-6,9,11H2,(H,25,26)
InChIKeyKHWQIZKQWLPKRO-UHFFFAOYSA-N
XLogP5.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.81
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide 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

2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-6-fluorobenzamide
CID 86716319
2-chloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide
CID 86716418
2-chloro-N-[2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 86716390
2,3-dichloro-N-[2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 86716370
[2-[[2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]phenyl]methanesulfinic acid
CID 174755263
2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-3-[1-(fluoromethyl)cyclopropyl]propyl]benzamide
CID 148868144
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
6-chloro-1-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-5-methoxycyclohexa-2,4-diene-1-carboxamide
CID 151313096
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697759
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770297
2,6-dichloro-N-[3-cyclopropyl-2-[4-(trifluoromethyl)-2H-pyrimidin-1-yl]propyl]benzamide
CID 86716416
2-chloro-N-[2-[2-(difluoromethyl)pyrimidin-5-yl]-2-(4,4-dimethylpiperidin-1-yl)ethyl]benzamide
CID 144603725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide (CID 86716285) is 2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide is O=C(NCC(CC1CC1)c1ccc(C(F)(F)F)nc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide?
The InChIKey is KHWQIZKQWLPKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O/c20-16-4-2-1-3-15(16)18(26)25-11-14(9-12-5-6-12)13-7-8-17(24-10-13)19(21,22)23/h1-4,7-8,10,12,14H,5-6,9,11H2,(H,25,26).
What are the key properties of 2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide?
2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide has a molecular weight of 382.81 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-cyclopropyl-2-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide is sourced from PubChem (CID 86716285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).