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

C15H13ClFNO — CID 113268545

IUPACN-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-10-7-13(17)5-6-14(10)15(19)18-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNGXSRCQLEPCNCK-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.72
Rot. Bonds3

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

N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide (PubChem CID 113268545) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
PubChem CID113268545
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC NameN-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-10-7-13(17)5-6-14(10)15(19)18-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNGXSRCQLEPCNCK-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-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
N-[(3-chlorophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104916625
N-[[3-(bromomethyl)phenyl]methyl]-2-chloro-4-fluorobenzamide
CID 114312951

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide (CID 113268545) is N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide?
The InChIKey is NGXSRCQLEPCNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10-7-13(17)5-6-14(10)15(19)18-9-11-3-2-4-12(16)8-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide?
N-[(3-chlorophenyl)methyl]-4-fluoro-2-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-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 113268545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).