N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide

C14H10BrCl2NO — CID 107619419

IUPACN-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1cccc(CCl)c1
InChIInChI=1S/C14H10BrCl2NO/c15-12-5-4-11(7-13(12)17)18-14(19)10-3-1-2-9(6-10)8-16/h1-7H,8H2,(H,18,19)
InChIKeyRFDXEJIUJCVYOR-UHFFFAOYSA-N
MW359.05 g/mol
LogP5.09
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide

N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide (PubChem CID 107619419) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
PubChem CID107619419
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)c1cccc(CCl)c1
InChIInChI=1S/C14H10BrCl2NO/c15-12-5-4-11(7-13(12)17)18-14(19)10-3-1-2-9(6-10)8-16/h1-7H,8H2,(H,18,19)
InChIKeyRFDXEJIUJCVYOR-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

3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
CID 43477757
4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
CID 114103935
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
CID 107573025
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
3-(chloromethyl)-N-(3,4-dicyanophenyl)benzamide
CID 107788654
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
4-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932
3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide
CID 43333552
methyl 3-[[3-(chloromethyl)benzoyl]amino]benzoate
CID 43346811
3-(chloromethyl)-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 43333549

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide (CID 107619419) is N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide is O=C(Nc1ccc(Br)c(Cl)c1)c1cccc(CCl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide?
The InChIKey is RFDXEJIUJCVYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c15-12-5-4-11(7-13(12)17)18-14(19)10-3-1-2-9(6-10)8-16/h1-7H,8H2,(H,18,19).
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide?
N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)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 N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide is sourced from PubChem (CID 107619419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).