N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide

C15H11ClF3NO — CID 2679569

IUPACN-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF3NO/c16-13-7-2-1-4-11(13)9-20-14(21)10-5-3-6-12(8-10)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeySPZBPBVALCMWIT-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.29
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide

N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 2679569) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID2679569
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11ClF3NO/c16-13-7-2-1-4-11(13)9-20-14(21)10-5-3-6-12(8-10)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeySPZBPBVALCMWIT-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide (CID 2679569) is N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide is O=C(NCc1ccccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SPZBPBVALCMWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c16-13-7-2-1-4-11(13)9-20-14(21)10-5-3-6-12(8-10)15(17,18)19/h1-8H,9H2,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide?
N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 313.71 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2679569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).