5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide

C15H13BrClNO — CID 974886

IUPAC5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C15H13BrClNO/c1-10-2-4-11(5-3-10)9-18-15(19)13-8-12(16)6-7-14(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyUQHJEJUJBDBEEV-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.34
Rot. Bonds3

About 5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide

5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 974886) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
PubChem CID974886
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C15H13BrClNO/c1-10-2-4-11(5-3-10)9-18-15(19)13-8-12(16)6-7-14(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyUQHJEJUJBDBEEV-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide (CID 974886) is 5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is UQHJEJUJBDBEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-10-2-4-11(5-3-10)9-18-15(19)13-8-12(16)6-7-14(13)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide?
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 338.63 g/mol, XLogP of 4.34, 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-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 974886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).