N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide

C14H9ClF3NO — CID 63188835

IUPACN-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9ClF3NO/c15-10-3-1-2-8(4-10)7-19-14(20)9-5-11(16)13(18)12(17)6-9/h1-6H,7H2,(H,19,20)
InChIKeyUZMWOISMUKGUQR-UHFFFAOYSA-N
MW299.68 g/mol
LogP3.69
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide

N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide (PubChem CID 63188835) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
PubChem CID63188835
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC NameN-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9ClF3NO/c15-10-3-1-2-8(4-10)7-19-14(20)9-5-11(16)13(18)12(17)6-9/h1-6H,7H2,(H,19,20)
InChIKeyUZMWOISMUKGUQR-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
CID 114302295
N-[(3-chlorophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104916625
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63183628
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide (CID 63188835) is N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide is O=C(NCc1cccc(Cl)c1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide?
The InChIKey is UZMWOISMUKGUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-10-3-1-2-8(4-10)7-19-14(20)9-5-11(16)13(18)12(17)6-9/h1-6H,7H2,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide?
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide has a molecular weight of 299.68 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63188835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).