4-chloro-2-fluoro-N-methyl-N-phenylbenzamide

C14H11ClFNO — CID 56919945

IUPAC4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C14H11ClFNO/c1-17(11-5-3-2-4-6-11)14(18)12-8-7-10(15)9-13(12)16/h2-9H,1H3
InChIKeyXGEKEQHPDALDMJ-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.76
Rot. Bonds2

About 4-chloro-2-fluoro-N-methyl-N-phenylbenzamide

4-chloro-2-fluoro-N-methyl-N-phenylbenzamide (PubChem CID 56919945) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
PubChem CID56919945
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C14H11ClFNO/c1-17(11-5-3-2-4-6-11)14(18)12-8-7-10(15)9-13(12)16/h2-9H,1H3
InChIKeyXGEKEQHPDALDMJ-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide
CID 52663224
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735649
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
2,4-difluoro-N-methyl-N-(4-phenoxyphenyl)benzamide
CID 47085591
2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
CID 24710295
5-chloro-N-(4-fluorophenyl)-2-hydroxy-N-methylbenzamide
CID 61063244
3,5-dichloro-N-methyl-N-phenylbenzamide;ethane
CID 156791859
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-chloro-2-fluoro-N-methyl-N-phenylbenzamide (CID 56919945) is 4-chloro-2-fluoro-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(Cl)cc1F)c1ccccc1.
What is the InChIKey of 4-chloro-2-fluoro-N-methyl-N-phenylbenzamide?
The InChIKey is XGEKEQHPDALDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-17(11-5-3-2-4-6-11)14(18)12-8-7-10(15)9-13(12)16/h2-9H,1H3.
What are the key properties of 4-chloro-2-fluoro-N-methyl-N-phenylbenzamide?
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide has a molecular weight of 263.70 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 56919945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).