4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide

C14H10ClF2NO — CID 43333434

IUPAC4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(CCl)cc1
InChIInChI=1S/C14H10ClF2NO/c15-8-9-1-3-10(4-2-9)14(19)18-13-7-11(16)5-6-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyQRLANGBLPOFEAE-UHFFFAOYSA-N
MW281.69 g/mol
LogP3.96
Rot. Bonds3

About 4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide

4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide (PubChem CID 43333434) has the molecular formula C14H10ClF2NO and a molecular weight of 281.69 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide
PubChem CID43333434
Molecular FormulaC14H10ClF2NO
Molecular Weight281.69 g/mol
Exact Mass281.04
IUPAC Name4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(CCl)cc1
InChIInChI=1S/C14H10ClF2NO/c15-8-9-1-3-10(4-2-9)14(19)18-13-7-11(16)5-6-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyQRLANGBLPOFEAE-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-(2,5-difluorophenyl)benzamide
CID 2969912
4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide
CID 43333534
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide
CID 43346653
N-(2,5-difluorophenyl)-4-phenylbenzamide
CID 7958887
N-(2,5-difluorophenyl)-4-(ethylamino)benzamide
CID 62172591
4-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63795512
N-(2,5-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17457009
4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide
CID 107528464
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide (CID 43333434) is 4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide is O=C(Nc1cc(F)ccc1F)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide?
The InChIKey is QRLANGBLPOFEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO/c15-8-9-1-3-10(4-2-9)14(19)18-13-7-11(16)5-6-12(13)17/h1-7H,8H2,(H,18,19).
What are the key properties of 4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide?
4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide 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 4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide is sourced from PubChem (CID 43333434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).