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

C14H10BrCl2NO — CID 87870430

IUPACN-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1)N(Br)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10BrCl2NO/c15-18(14(19)10-4-2-1-3-5-10)9-11-6-7-12(16)8-13(11)17/h1-8H,9H2
InChIKeyIUKJTCZIHOKBAY-UHFFFAOYSA-N
MW359.05 g/mol
LogP4.95
Rot. Bonds3

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

N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide (PubChem CID 87870430) has the molecular formula C14H10BrCl2NO and a molecular weight of 359.05 g/mol. Its IUPAC name is N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide
PubChem CID87870430
Molecular FormulaC14H10BrCl2NO
Molecular Weight359.05 g/mol
Exact Mass356.93
IUPAC NameN-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1)N(Br)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10BrCl2NO/c15-18(14(19)10-4-2-1-3-5-10)9-11-6-7-12(16)8-13(11)17/h1-8H,9H2
InChIKeyIUKJTCZIHOKBAY-UHFFFAOYSA-N
XLogP4.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.05
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
CID 55246702
3-[N-[(2,4-dichlorophenyl)methyl]anilino]propanoic acid
CID 60839245
N-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
CID 87870486
3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide
CID 4191533
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60683217
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
N-[(2,4-dichlorophenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 168853808
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide?
The IUPAC name of N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide (CID 87870430) is N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide.
What is the SMILES notation for N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide?
The canonical SMILES for N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide is O=C(c1ccccc1)N(Br)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide?
The InChIKey is IUKJTCZIHOKBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO/c15-18(14(19)10-4-2-1-3-5-10)9-11-6-7-12(16)8-13(11)17/h1-8H,9H2.
What are the key properties of N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide?
N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide has a molecular weight of 359.05 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-[(2,4-dichlorophenyl)methyl]benzamide is sourced from PubChem (CID 87870430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).