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

C14H10Cl2FNO — CID 841148

IUPAC2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2FNO/c15-11-2-1-3-12(16)13(11)14(19)18-8-9-4-6-10(17)7-5-9/h1-7H,8H2,(H,18,19)
InChIKeyCMYICLXHRTVSIC-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.06
Rot. Bonds3

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

2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 841148) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID841148
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2FNO/c15-11-2-1-3-12(16)13(11)14(19)18-8-9-4-6-10(17)7-5-9/h1-7H,8H2,(H,18,19)
InChIKeyCMYICLXHRTVSIC-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

2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654
2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710779
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2,6-dichloro-N-[[4-(2-methyl-6-oxo-1H-pyridin-4-yl)phenyl]methyl]benzamide
CID 71150032

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide (CID 841148) is 2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is CMYICLXHRTVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c15-11-2-1-3-12(16)13(11)14(19)18-8-9-4-6-10(17)7-5-9/h1-7H,8H2,(H,18,19).
What are the key properties of 2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide?
2,6-dichloro-N-[(4-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 2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 841148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).