N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide

C15H11ClF3NO2 — CID 4851162

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CO)cc1
InChIInChI=1S/C15H11ClF3NO2/c16-13-6-5-11(7-12(13)15(17,18)19)20-14(22)10-3-1-9(8-21)2-4-10/h1-7,21H,8H2,(H,20,22)
InChIKeyKQHRWMOOPNWJKS-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.10
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide (PubChem CID 4851162) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide
PubChem CID4851162
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CO)cc1
InChIInChI=1S/C15H11ClF3NO2/c16-13-6-5-11(7-12(13)15(17,18)19)20-14(22)10-3-1-9(8-21)2-4-10/h1-7,21H,8H2,(H,20,22)
InChIKeyKQHRWMOOPNWJKS-UHFFFAOYSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-4-(4-Methyl-2-Oxo-1,2-Dihydroquinolin-7-Yl)benzoic Acid
CID 71576804
5-[(3-Carboxyacryloyl)amino]-2-chlorobenzoic acid
CID 5702338
3-[N-(4-chlorophenyl)amino]benzoic acid
CID 53324830
5-(Acetylamino)-2-chlorobenzoic acid
CID 680956
SR0987
CID 2323435
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 16445098
2-chloro-N-[4-(2-hydroxy-2-phenylethyl)phenyl]benzamide
CID 56672054
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 155516224
4-(hydroxymethyl)-N-phenylbenzamide
CID 23181990
3-(4-Trifluoromethyl-benzoylamino)-benzoic acid
CID 729583
Benzamide, 4-chloro-N-(4-(1-hydroxy-2,2,2-trifluoroethyl)phenyl)-
CID 3058190
5-Chloro-2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid
CID 44457122

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide (CID 4851162) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CO)cc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide?
The InChIKey is KQHRWMOOPNWJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c16-13-6-5-11(7-12(13)15(17,18)19)20-14(22)10-3-1-9(8-21)2-4-10/h1-7,21H,8H2,(H,20,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide has a molecular weight of 329.71 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 4851162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).