3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide

C11H11ClF3NO2 — CID 99599053

IUPAC3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide
SMILESC[C@@H](O)CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11ClF3NO2/c1-6(17)5-16-10(18)7-2-8(11(13,14)15)4-9(12)3-7/h2-4,6,17H,5H2,1H3,(H,16,18)/t6-/m1/s1
InChIKeyWPJGAPJTQDKCOA-ZCFIWIBFSA-N
MW281.66 g/mol
LogP2.47
Rot. Bonds3

About 3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide

3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide (PubChem CID 99599053) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide
PubChem CID99599053
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide
SMILESC[C@@H](O)CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11ClF3NO2/c1-6(17)5-16-10(18)7-2-8(11(13,14)15)4-9(12)3-7/h2-4,6,17H,5H2,1H3,(H,16,18)/t6-/m1/s1
InChIKeyWPJGAPJTQDKCOA-ZCFIWIBFSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-chloro-N-[(3R)-3-[(S)-methylsulfinyl]butyl]-5-(trifluoromethyl)benzamide
CID 99632356
3-chloro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 91649838
methyl (2S)-3-[[3-chloro-5-(trifluoromethyl)benzoyl]amino]-2-hydroxy-2-methylpropanoate
CID 129359079
N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 52585751
3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430430
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
CID 119996487
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121180192
4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol
CID 116699478
3-amino-N-[(2S)-2-(dimethylamino)propyl]-5-(trifluoromethyl)benzamide
CID 163362848
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide (CID 99599053) is 3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide is C[C@@H](O)CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide?
The InChIKey is WPJGAPJTQDKCOA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-6(17)5-16-10(18)7-2-8(11(13,14)15)4-9(12)3-7/h2-4,6,17H,5H2,1H3,(H,16,18)/t6-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide?
3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide has a molecular weight of 281.66 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 99599053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).