4-bromo-N-[3-(chloromethyl)phenyl]benzamide

C14H11BrClNO — CID 113270932

IUPAC4-bromo-N-[3-(chloromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CCl)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClNO/c15-12-6-4-11(5-7-12)14(18)17-13-3-1-2-10(8-13)9-16/h1-8H,9H2,(H,17,18)
InChIKeyULXMQLKWMSFYBF-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.44
Rot. Bonds3

About 4-bromo-N-[3-(chloromethyl)phenyl]benzamide

4-bromo-N-[3-(chloromethyl)phenyl]benzamide (PubChem CID 113270932) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 4-bromo-N-[3-(chloromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(chloromethyl)phenyl]benzamide
PubChem CID113270932
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name4-bromo-N-[3-(chloromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CCl)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClNO/c15-12-6-4-11(5-7-12)14(18)17-13-3-1-2-10(8-13)9-16/h1-8H,9H2,(H,17,18)
InChIKeyULXMQLKWMSFYBF-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.44
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-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
CID 114103935
N-[3-(chloromethyl)phenyl]-4-(dimethylamino)benzamide
CID 114293242
3,4-dichloro-N-[3-(chloromethyl)phenyl]benzamide
CID 114293273
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187
4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide
CID 114293310
4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
CID 113397345
4-chloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzamide
CID 114025222
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
N-[3-(chloromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 114293227
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
N-(4-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 107619419
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(chloromethyl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(chloromethyl)phenyl]benzamide (CID 113270932) is 4-bromo-N-[3-(chloromethyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(chloromethyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(chloromethyl)phenyl]benzamide is O=C(Nc1cccc(CCl)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(chloromethyl)phenyl]benzamide?
The InChIKey is ULXMQLKWMSFYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c15-12-6-4-11(5-7-12)14(18)17-13-3-1-2-10(8-13)9-16/h1-8H,9H2,(H,17,18).
What are the key properties of 4-bromo-N-[3-(chloromethyl)phenyl]benzamide?
4-bromo-N-[3-(chloromethyl)phenyl]benzamide has a molecular weight of 324.61 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(chloromethyl)phenyl]benzamide is sourced from PubChem (CID 113270932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).