4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide

C16H16BrNO2 — CID 47267913

IUPAC4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H16BrNO2/c1-3-20-14-8-9-15(11(2)10-14)18-16(19)12-4-6-13(17)7-5-12/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyTURGHSWPMPKISK-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.41
Rot. Bonds4

About 4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide

4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide (PubChem CID 47267913) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
PubChem CID47267913
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H16BrNO2/c1-3-20-14-8-9-15(11(2)10-14)18-16(19)12-4-6-13(17)7-5-12/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyTURGHSWPMPKISK-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[4-[(4-bromobenzoyl)amino]-3-methylphenoxy]acetate
CID 55916233
5-bromo-N-(4-ethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 47312097
[4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate
CID 1234586
4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
CID 60928289
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 9159193
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
CID 61091755
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
4-bromo-N-(2-ethoxy-5-methylphenyl)benzamide
CID 868412

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide?
The IUPAC name of 4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide (CID 47267913) is 4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide?
The InChIKey is TURGHSWPMPKISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-3-20-14-8-9-15(11(2)10-14)18-16(19)12-4-6-13(17)7-5-12/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide?
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide has a molecular weight of 334.21 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide is sourced from PubChem (CID 47267913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).