2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide

C14H13ClF3N3O — CID 126827796

IUPAC2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cn[nH]c2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H13ClF3N3O/c1-8-2-3-10(11(15)6-8)13(22)19-5-4-9-7-20-21-12(9)14(16,17)18/h2-3,6-7H,4-5H2,1H3,(H,19,22)(H,20,21)
InChIKeyWRRWXSKNIIKEBK-UHFFFAOYSA-N
MW331.73 g/mol
LogP3.36
Rot. Bonds4

About 2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide

2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide (PubChem CID 126827796) has the molecular formula C14H13ClF3N3O and a molecular weight of 331.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide
PubChem CID126827796
Molecular FormulaC14H13ClF3N3O
Molecular Weight331.73 g/mol
Exact Mass331.07
IUPAC Name2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cn[nH]c2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H13ClF3N3O/c1-8-2-3-10(11(15)6-8)13(22)19-5-4-9-7-20-21-12(9)14(16,17)18/h2-3,6-7H,4-5H2,1H3,(H,19,22)(H,20,21)
InChIKeyWRRWXSKNIIKEBK-UHFFFAOYSA-N
XLogP3.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 106491058
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2,4-dichloro-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
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2-chloro-4-methyl-N-[(E)-pent-3-enyl]benzamide
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2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403
2,4-dichloro-N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]benzamide
CID 110415725
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide
CID 106862102
N-(3-azidopropyl)-2-chloro-4-methylbenzamide
CID 106863546

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide (CID 126827796) is 2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide is Cc1ccc(C(=O)NCCc2cn[nH]c2C(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide?
The InChIKey is WRRWXSKNIIKEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O/c1-8-2-3-10(11(15)6-8)13(22)19-5-4-9-7-20-21-12(9)14(16,17)18/h2-3,6-7H,4-5H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide?
2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide has a molecular weight of 331.73 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 126827796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).