N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide

C15H12ClF2NO — CID 114302295

IUPACN-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
SMILESO=C(NCc1cccc(CCl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12ClF2NO/c16-8-10-2-1-3-11(6-10)9-19-15(20)12-4-5-13(17)14(18)7-12/h1-7H,8-9H2,(H,19,20)
InChIKeyMCCCSIYJFUXVPO-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.63
Rot. Bonds4

About N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide

N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide (PubChem CID 114302295) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
PubChem CID114302295
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC NameN-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
SMILESO=C(NCc1cccc(CCl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12ClF2NO/c16-8-10-2-1-3-11(6-10)9-19-15(20)12-4-5-13(17)14(18)7-12/h1-7H,8-9H2,(H,19,20)
InChIKeyMCCCSIYJFUXVPO-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3,4-difluorobenzamide
CID 1294460
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040983
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid
CID 20714672
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508

Frequently Asked Questions

What is the IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide (CID 114302295) is N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide is O=C(NCc1cccc(CCl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide?
The InChIKey is MCCCSIYJFUXVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c16-8-10-2-1-3-11(6-10)9-19-15(20)12-4-5-13(17)14(18)7-12/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide?
N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide has a molecular weight of 295.72 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 114302295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).