5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide

C14H10BrCl2NO — CID 114298302

IUPAC5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1CCl)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrCl2NO/c15-10-5-6-12(17)11(7-10)14(19)18-13-4-2-1-3-9(13)8-16/h1-7H,8H2,(H,18,19)
InChIKeyFGALWBPTWKYPOE-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.09
Rot. Bonds3

About 5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide

5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide (PubChem CID 114298302) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
PubChem CID114298302
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1CCl)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrCl2NO/c15-10-5-6-12(17)11(7-10)14(19)18-13-4-2-1-3-9(13)8-16/h1-7H,8H2,(H,18,19)
InChIKeyFGALWBPTWKYPOE-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.05
LogP ≤ 55.09
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

2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
2,5-dibromo-N-[2-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 114021805
5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
CID 43378988
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422
2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
CID 114298590
4-chloro-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114298237
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 107956658
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
CID 107937906
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide (CID 114298302) is 5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide is O=C(Nc1ccccc1CCl)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide?
The InChIKey is FGALWBPTWKYPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c15-10-5-6-12(17)11(7-10)14(19)18-13-4-2-1-3-9(13)8-16/h1-7H,8H2,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide?
5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide has a molecular weight of 359.05 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide is sourced from PubChem (CID 114298302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).