2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide

C14H9Cl2F2NO — CID 37391840

IUPAC2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2F2NO/c15-9-1-2-12(13(16)5-9)14(20)19-7-8-3-10(17)6-11(18)4-8/h1-6H,7H2,(H,19,20)
InChIKeyKEEFMVSOHGNPEP-UHFFFAOYSA-N
MW316.13 g/mol
LogP4.20
Rot. Bonds3

About 2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide

2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide (PubChem CID 37391840) has the molecular formula C14H9Cl2F2NO and a molecular weight of 316.13 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
PubChem CID37391840
Molecular FormulaC14H9Cl2F2NO
Molecular Weight316.13 g/mol
Exact Mass315.00
IUPAC Name2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2F2NO/c15-9-1-2-12(13(16)5-9)14(20)19-7-8-3-10(17)6-11(18)4-8/h1-6H,7H2,(H,19,20)
InChIKeyKEEFMVSOHGNPEP-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 23019893
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 17492032
2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
CID 51289387
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
CID 2192424
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide (CID 37391840) is 2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide is O=C(NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide?
The InChIKey is KEEFMVSOHGNPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2NO/c15-9-1-2-12(13(16)5-9)14(20)19-7-8-3-10(17)6-11(18)4-8/h1-6H,7H2,(H,19,20).
What are the key properties of 2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide?
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide has a molecular weight of 316.13 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide is sourced from PubChem (CID 37391840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).