2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide

C14H9Cl3FNO — CID 23019893

IUPAC2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1c(F)cccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3FNO/c15-8-4-5-9(12(17)6-8)14(20)19-7-10-11(16)2-1-3-13(10)18/h1-6H,7H2,(H,19,20)
InChIKeyFXUHXIWVKIVYEE-UHFFFAOYSA-N
MW332.59 g/mol
LogP4.72
Rot. Bonds3

About 2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide

2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide (PubChem CID 23019893) has the molecular formula C14H9Cl3FNO and a molecular weight of 332.59 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
PubChem CID23019893
Molecular FormulaC14H9Cl3FNO
Molecular Weight332.59 g/mol
Exact Mass330.97
IUPAC Name2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1c(F)cccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3FNO/c15-8-4-5-9(12(17)6-8)14(20)19-7-10-11(16)2-1-3-13(10)18/h1-6H,7H2,(H,19,20)
InChIKeyFXUHXIWVKIVYEE-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 2804312
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
2,4-dichloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 9047368
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 103292717
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide (CID 23019893) is 2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide is O=C(NCc1c(F)cccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide?
The InChIKey is FXUHXIWVKIVYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3FNO/c15-8-4-5-9(12(17)6-8)14(20)19-7-10-11(16)2-1-3-13(10)18/h1-6H,7H2,(H,19,20).
What are the key properties of 2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide?
2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide has a molecular weight of 332.59 g/mol, XLogP of 4.72, 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-[(2-chloro-6-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 23019893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).