N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide

C14H10ClF2NO — CID 114299996

IUPACN-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
SMILESO=C(Nc1ccc(CCl)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H10ClF2NO/c15-8-9-1-4-11(5-2-9)18-14(19)12-7-10(16)3-6-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyYZSDWWCBJBZLAS-UHFFFAOYSA-N
MW281.69 g/mol
LogP3.96
Rot. Bonds3

About N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide

N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide (PubChem CID 114299996) has the molecular formula C14H10ClF2NO and a molecular weight of 281.69 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
PubChem CID114299996
Molecular FormulaC14H10ClF2NO
Molecular Weight281.69 g/mol
Exact Mass281.04
IUPAC NameN-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
SMILESO=C(Nc1ccc(CCl)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H10ClF2NO/c15-8-9-1-4-11(5-2-9)18-14(19)12-7-10(16)3-6-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyYZSDWWCBJBZLAS-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

2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 42370376
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide
CID 107993837
N-(4-chlorophenyl)-5-fluoro-2-sulfanylbenzamide
CID 70678515
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide
CID 107956665
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114299948
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide?
The IUPAC name of N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide (CID 114299996) is N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide is O=C(Nc1ccc(CCl)cc1)c1cc(F)ccc1F.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide?
The InChIKey is YZSDWWCBJBZLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO/c15-8-9-1-4-11(5-2-9)18-14(19)12-7-10(16)3-6-13(12)17/h1-7H,8H2,(H,18,19).
What are the key properties of N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide?
N-[4-(chloromethyl)phenyl]-2,5-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-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide is sourced from PubChem (CID 114299996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).