N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide

C15H11F4NO2 — CID 2224741

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C15H11F4NO2/c1-22-11-5-2-9(3-6-11)14(21)20-13-8-10(15(17,18)19)4-7-12(13)16/h2-8H,1H3,(H,20,21)
InChIKeyOYYWTFBXXDZZAK-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.11
Rot. Bonds3

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide (PubChem CID 2224741) has the molecular formula C15H11F4NO2 and a molecular weight of 313.25 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
PubChem CID2224741
Molecular FormulaC15H11F4NO2
Molecular Weight313.25 g/mol
Exact Mass313.07
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C15H11F4NO2/c1-22-11-5-2-9(3-6-11)14(21)20-13-8-10(15(17,18)19)4-7-12(13)16/h2-8H,1H3,(H,20,21)
InChIKeyOYYWTFBXXDZZAK-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide
CID 1335728
N-[5-methoxy-2-(methoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 134068254
3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 4134181
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 103752711
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 63117294

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide (CID 2224741) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide?
The InChIKey is OYYWTFBXXDZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO2/c1-22-11-5-2-9(3-6-11)14(21)20-13-8-10(15(17,18)19)4-7-12(13)16/h2-8H,1H3,(H,20,21).
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide has a molecular weight of 313.25 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 2224741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).