2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide

C14H10BrCl2NO — CID 1010962

IUPAC2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C14H10BrCl2NO/c15-11-4-2-1-3-10(11)14(19)18-8-9-5-6-12(16)13(17)7-9/h1-7H,8H2,(H,18,19)
InChIKeyYUABUCQKHJEZMB-UHFFFAOYSA-N
MW359.05 g/mol
LogP4.69
Rot. Bonds3

About 2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide

2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide (PubChem CID 1010962) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is 2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide
PubChem CID1010962
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC Name2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccccc1Br
InChIInChI=1S/C14H10BrCl2NO/c15-11-4-2-1-3-10(11)14(19)18-8-9-5-6-12(16)13(17)7-9/h1-7H,8H2,(H,18,19)
InChIKeyYUABUCQKHJEZMB-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.05
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide (CID 1010962) is 2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide?
The InChIKey is YUABUCQKHJEZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c15-11-4-2-1-3-10(11)14(19)18-8-9-5-6-12(16)13(17)7-9/h1-7H,8H2,(H,18,19).
What are the key properties of 2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide?
2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide has a molecular weight of 359.05 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3,4-dichlorophenyl)methyl]benzamide is sourced from PubChem (CID 1010962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).