N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide

C16H13F4NO — CID 9051893

IUPACN-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F4NO/c17-14-6-1-3-11(9-14)7-8-21-15(22)12-4-2-5-13(10-12)16(18,19)20/h1-6,9-10H,7-8H2,(H,21,22)
InChIKeyXOPBPFWMSCONEF-UHFFFAOYSA-N
MW311.28 g/mol
LogP3.82
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide

N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 9051893) has the molecular formula C16H13F4NO and a molecular weight of 311.28 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID9051893
Molecular FormulaC16H13F4NO
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F4NO/c17-14-6-1-3-11(9-14)7-8-21-15(22)12-4-2-5-13(10-12)16(18,19)20/h1-6,9-10H,7-8H2,(H,21,22)
InChIKeyXOPBPFWMSCONEF-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78796629
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 91058519
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 87467122
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide (CID 9051893) is N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1cccc(F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is XOPBPFWMSCONEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO/c17-14-6-1-3-11(9-14)7-8-21-15(22)12-4-2-5-13(10-12)16(18,19)20/h1-6,9-10H,7-8H2,(H,21,22).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide?
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 311.28 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 9051893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).