N-benzyl-4-chloro-2-fluoro-N-methylbenzamide

C15H13ClFNO — CID 94370486

IUPACN-benzyl-4-chloro-2-fluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO/c1-18(10-11-5-3-2-4-6-11)15(19)13-8-7-12(16)9-14(13)17/h2-9H,10H2,1H3
InChIKeyQARCQTWQCAJUAX-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.75
Rot. Bonds3

About N-benzyl-4-chloro-2-fluoro-N-methylbenzamide

N-benzyl-4-chloro-2-fluoro-N-methylbenzamide (PubChem CID 94370486) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is N-benzyl-4-chloro-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-2-fluoro-N-methylbenzamide
PubChem CID94370486
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC NameN-benzyl-4-chloro-2-fluoro-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO/c1-18(10-11-5-3-2-4-6-11)15(19)13-8-7-12(16)9-14(13)17/h2-9H,10H2,1H3
InChIKeyQARCQTWQCAJUAX-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 61118192
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104928615
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79290471
N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide
CID 110851104
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-2-fluoro-N-methylbenzamide?
The IUPAC name of N-benzyl-4-chloro-2-fluoro-N-methylbenzamide (CID 94370486) is N-benzyl-4-chloro-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-benzyl-4-chloro-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-benzyl-4-chloro-2-fluoro-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-benzyl-4-chloro-2-fluoro-N-methylbenzamide?
The InChIKey is QARCQTWQCAJUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-18(10-11-5-3-2-4-6-11)15(19)13-8-7-12(16)9-14(13)17/h2-9H,10H2,1H3.
What are the key properties of N-benzyl-4-chloro-2-fluoro-N-methylbenzamide?
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide has a molecular weight of 277.73 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 94370486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).