N-(4-bromophenyl)-4-methylbenzamide

C14H12BrNO — CID 531830

IUPACN-(4-bromophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNO/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13/h2-9H,1H3,(H,16,17)
InChIKeyLDZAMVJRGBUYEO-UHFFFAOYSA-N
MW290.16 g/mol
LogP4.01
Rot. Bonds2

About N-(4-bromophenyl)-4-methylbenzamide

N-(4-bromophenyl)-4-methylbenzamide (PubChem CID 531830) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-methylbenzamide
PubChem CID531830
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC NameN-(4-bromophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNO/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13/h2-9H,1H3,(H,16,17)
InChIKeyLDZAMVJRGBUYEO-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-methylbenzamide?
The IUPAC name of N-(4-bromophenyl)-4-methylbenzamide (CID 531830) is N-(4-bromophenyl)-4-methylbenzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-methylbenzamide?
The canonical SMILES for N-(4-bromophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-methylbenzamide?
The InChIKey is LDZAMVJRGBUYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13/h2-9H,1H3,(H,16,17).
What are the key properties of N-(4-bromophenyl)-4-methylbenzamide?
N-(4-bromophenyl)-4-methylbenzamide has a molecular weight of 290.16 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-methylbenzamide is sourced from PubChem (CID 531830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).