N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide

C18H17BrN2O2 — CID 113095079

IUPACN-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2ccc(Br)cc2)C2CC2)cc1
InChIInChI=1S/C18H17BrN2O2/c1-12(22)20-15-6-8-16(9-7-15)21(17-10-11-17)18(23)13-2-4-14(19)5-3-13/h2-9,17H,10-11H2,1H3,(H,20,22)
InChIKeyCAGYBTWTUICBHO-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.22
Rot. Bonds4

About N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide

N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide (PubChem CID 113095079) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide
PubChem CID113095079
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2ccc(Br)cc2)C2CC2)cc1
InChIInChI=1S/C18H17BrN2O2/c1-12(22)20-15-6-8-16(9-7-15)21(17-10-11-17)18(23)13-2-4-14(19)5-3-13/h2-9,17H,10-11H2,1H3,(H,20,22)
InChIKeyCAGYBTWTUICBHO-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide
CID 113095104
methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
CID 113095123
N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide
CID 113095067
N-(4-acetamidophenyl)-N-cyclopropyloxolane-2-carboxamide
CID 113095065
N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
CID 113094048
4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide
CID 113094726
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110744264
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
CID 113094036
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide
CID 113094047

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide (CID 113095079) is N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide is CC(=O)Nc1ccc(N(C(=O)c2ccc(Br)cc2)C2CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide?
The InChIKey is CAGYBTWTUICBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12(22)20-15-6-8-16(9-7-15)21(17-10-11-17)18(23)13-2-4-14(19)5-3-13/h2-9,17H,10-11H2,1H3,(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide?
N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide has a molecular weight of 373.25 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide is sourced from PubChem (CID 113095079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).