2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide

C13H13ClF3NO — CID 143467098

IUPAC2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCC1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H13ClF3NO/c14-11-6-9(13(15,16)17)4-5-10(11)12(19)18-7-8-2-1-3-8/h4-6,8H,1-3,7H2,(H,18,19)
InChIKeyTYKXHCVIAMWTAO-UHFFFAOYSA-N
MW291.70 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide

2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 143467098) has the molecular formula C13H13ClF3NO and a molecular weight of 291.70 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID143467098
Molecular FormulaC13H13ClF3NO
Molecular Weight291.70 g/mol
Exact Mass291.06
IUPAC Name2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCC1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H13ClF3NO/c14-11-6-9(13(15,16)17)4-5-10(11)12(19)18-7-8-2-1-3-8/h4-6,8H,1-3,7H2,(H,18,19)
InChIKeyTYKXHCVIAMWTAO-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide;methylcyclopropane;1-methylsulfanylpropane
CID 143467097
2-chloro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
CID 90650438
N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride
CID 171678638
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
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CID 65460311
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
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2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide (CID 143467098) is 2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide is O=C(NCC1CCC1)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is TYKXHCVIAMWTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3NO/c14-11-6-9(13(15,16)17)4-5-10(11)12(19)18-7-8-2-1-3-8/h4-6,8H,1-3,7H2,(H,18,19).
What are the key properties of 2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide?
2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 291.70 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 143467098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).