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

C14H10Cl2FNO — CID 127502749

IUPAC2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2FNO/c15-10-4-5-12(13(16)7-10)14(19)18-8-9-2-1-3-11(17)6-9/h1-7H,8H2,(H,18,19)
InChIKeyYNSGOWUDNREUSD-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.06
Rot. Bonds3

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

2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 127502749) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID127502749
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2FNO/c15-10-4-5-12(13(16)7-10)14(19)18-8-9-2-1-3-11(17)6-9/h1-7H,8H2,(H,18,19)
InChIKeyYNSGOWUDNREUSD-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
N-[[3-(bromomethyl)phenyl]methyl]-2-chloro-4-fluorobenzamide
CID 114312951
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 23019893
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881
N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
CID 113268545
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 8635005
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide (CID 127502749) is 2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide is O=C(NCc1cccc(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is YNSGOWUDNREUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c15-10-4-5-12(13(16)7-10)14(19)18-8-9-2-1-3-11(17)6-9/h1-7H,8H2,(H,18,19).
What are the key properties of 2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide?
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 298.14 g/mol, XLogP of 4.06, 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-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 127502749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).