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

C14H10ClF2NO — CID 114293187

IUPACN-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1cccc(CCl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10ClF2NO/c15-8-9-2-1-3-11(6-9)18-14(19)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H,18,19)
InChIKeyPLDWXFGSADPBQT-UHFFFAOYSA-N
MW281.69 g/mol
LogP3.96
Rot. Bonds3

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

N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide (PubChem CID 114293187) has the molecular formula C14H10ClF2NO and a molecular weight of 281.69 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
PubChem CID114293187
Molecular FormulaC14H10ClF2NO
Molecular Weight281.69 g/mol
Exact Mass281.04
IUPAC NameN-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1cccc(CCl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10ClF2NO/c15-8-9-2-1-3-11(6-9)18-14(19)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H,18,19)
InChIKeyPLDWXFGSADPBQT-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 53.96
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

4-chloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzamide
CID 114025222
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
CID 114302295
4-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932
4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
CID 113397345
4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
CID 114103935
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide
CID 114293310
N-[3-(chloromethyl)phenyl]-4-(dimethylamino)benzamide
CID 114293242
3-(chloromethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43346938
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide (CID 114293187) is N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide is O=C(Nc1cccc(CCl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide?
The InChIKey is PLDWXFGSADPBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO/c15-8-9-2-1-3-11(6-9)18-14(19)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H,18,19).
What are the key properties of N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide?
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide has a molecular weight of 281.69 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 114293187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).