N-(2-bromophenyl)-4-(chloromethyl)benzamide

C14H11BrClNO — CID 43156285

IUPACN-(2-bromophenyl)-4-(chloromethyl)benzamide
SMILESO=C(Nc1ccccc1Br)c1ccc(CCl)cc1
InChIInChI=1S/C14H11BrClNO/c15-12-3-1-2-4-13(12)17-14(18)11-7-5-10(9-16)6-8-11/h1-8H,9H2,(H,17,18)
InChIKeyHMEATFVAXCODHN-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.44
Rot. Bonds3

About N-(2-bromophenyl)-4-(chloromethyl)benzamide

N-(2-bromophenyl)-4-(chloromethyl)benzamide (PubChem CID 43156285) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(chloromethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(chloromethyl)benzamide
PubChem CID43156285
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC NameN-(2-bromophenyl)-4-(chloromethyl)benzamide
SMILESO=C(Nc1ccccc1Br)c1ccc(CCl)cc1
InChIInChI=1S/C14H11BrClNO/c15-12-3-1-2-4-13(12)17-14(18)11-7-5-10(9-16)6-8-11/h1-8H,9H2,(H,17,18)
InChIKeyHMEATFVAXCODHN-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-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
4-N-(2-bromophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043031
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
N-(2-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 1208461
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048442
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(chloromethyl)benzamide
CID 81383110
4-(chloromethyl)-N-[2-(dimethylamino)-3-pyridinyl]benzamide
CID 43698922
4-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298246
N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 104627291
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(chloromethyl)benzamide?
The IUPAC name of N-(2-bromophenyl)-4-(chloromethyl)benzamide (CID 43156285) is N-(2-bromophenyl)-4-(chloromethyl)benzamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(chloromethyl)benzamide?
The canonical SMILES for N-(2-bromophenyl)-4-(chloromethyl)benzamide is O=C(Nc1ccccc1Br)c1ccc(CCl)cc1.
What is the InChIKey of N-(2-bromophenyl)-4-(chloromethyl)benzamide?
The InChIKey is HMEATFVAXCODHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c15-12-3-1-2-4-13(12)17-14(18)11-7-5-10(9-16)6-8-11/h1-8H,9H2,(H,17,18).
What are the key properties of N-(2-bromophenyl)-4-(chloromethyl)benzamide?
N-(2-bromophenyl)-4-(chloromethyl)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 N-(2-bromophenyl)-4-(chloromethyl)benzamide is sourced from PubChem (CID 43156285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).