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

C15H13BrClNO — CID 107233417

IUPAC4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CCl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO/c16-14-7-5-13(6-8-14)15(19)18-10-12-3-1-11(9-17)2-4-12/h1-8H,9-10H2,(H,18,19)
InChIKeyAFYHABIEDMPWOL-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.12
Rot. Bonds4

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

4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide (PubChem CID 107233417) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide
PubChem CID107233417
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CCl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO/c16-14-7-5-13(6-8-14)15(19)18-10-12-3-1-11(9-17)2-4-12/h1-8H,9-10H2,(H,18,19)
InChIKeyAFYHABIEDMPWOL-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.12
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-[(4-bromophenyl)methyl]benzamide
CID 17384434
4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230293
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
4-bromo-N-(chloromethyl)benzamide
CID 29079018
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122539
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(chloromethyl)benzamide
CID 114138984
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide (CID 107233417) is 4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(CCl)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide?
The InChIKey is AFYHABIEDMPWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c16-14-7-5-13(6-8-14)15(19)18-10-12-3-1-11(9-17)2-4-12/h1-8H,9-10H2,(H,18,19).
What are the key properties of 4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide?
4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide has a molecular weight of 338.63 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 107233417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).