N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide

C15H13ClFNO — CID 80718402

IUPACN-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H13ClFNO/c1-10-3-2-4-13(14(10)17)15(19)18-9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLLBXJBSIPMRQGN-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.72
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide

N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide (PubChem CID 80718402) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
PubChem CID80718402
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H13ClFNO/c1-10-3-2-4-13(14(10)17)15(19)18-9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLLBXJBSIPMRQGN-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
CID 107233515
2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 109399591
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 110851489
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzamide
CID 107984081
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 122144197
4-[[(2,3-difluorobenzoyl)amino]methyl]benzoic acid
CID 62648639
N-[(4-chlorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 11748334
N-[[4-(chloromethyl)phenyl]methyl]-2,3,4-trifluorobenzamide
CID 107233561

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide (CID 80718402) is N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccc(Cl)cc2)c1F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide?
The InChIKey is LLBXJBSIPMRQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10-3-2-4-13(14(10)17)15(19)18-9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide?
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide has a molecular weight of 277.73 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80718402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).