N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide

C16H14F3NO2 — CID 4149542

IUPACN-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO2/c1-22-14-7-5-11(6-8-14)10-20-15(21)12-3-2-4-13(9-12)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeySFPBDLWCKYEGNR-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.64
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide

N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 4149542) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID4149542
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO2/c1-22-14-7-5-11(6-8-14)10-20-15(21)12-3-2-4-13(9-12)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeySFPBDLWCKYEGNR-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52764158
N-[(4-methoxyphenyl)methyl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 46091627
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 16799188
N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71690232
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide (CID 4149542) is N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide is COc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SFPBDLWCKYEGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-22-14-7-5-11(6-8-14)10-20-15(21)12-3-2-4-13(9-12)16(17,18)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide?
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 309.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4149542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).