3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide

C14H10Cl2FNO — CID 114299948

IUPAC3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(CCl)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C14H10Cl2FNO/c15-8-9-4-6-10(7-5-9)18-14(19)11-2-1-3-12(16)13(11)17/h1-7H,8H2,(H,18,19)
InChIKeyXQVFJURCUZZPRN-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.47
Rot. Bonds3

About 3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide

3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide (PubChem CID 114299948) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
PubChem CID114299948
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(CCl)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C14H10Cl2FNO/c15-8-9-4-6-10(7-5-9)18-14(19)11-2-1-3-12(16)13(11)17/h1-7H,8H2,(H,18,19)
InChIKeyXQVFJURCUZZPRN-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
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

3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508
N-(4-aminophenyl)-3-chloro-2-fluorobenzamide
CID 81267741
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084
3-chloro-N-[(E)-4-chlorobut-2-enyl]-2-fluorobenzamide
CID 81429885
3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide
CID 103774874
N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
CID 114299996
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
CID 62648476
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide
CID 114299939
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 81461664
N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
CID 114310286
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
CID 106846240

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide?
The IUPAC name of 3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide (CID 114299948) is 3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide is O=C(Nc1ccc(CCl)cc1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide?
The InChIKey is XQVFJURCUZZPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c15-8-9-4-6-10(7-5-9)18-14(19)11-2-1-3-12(16)13(11)17/h1-7H,8H2,(H,18,19).
What are the key properties of 3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide?
3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide has a molecular weight of 298.14 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 114299948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).