N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide

C18H17BrN2O2 — CID 113094048

IUPACN-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CC1
InChIInChI=1S/C18H17BrN2O2/c1-12(22)21(17-9-10-17)16-7-5-15(6-8-16)20-18(23)13-3-2-4-14(19)11-13/h2-8,11,17H,9-10H2,1H3,(H,20,23)
InChIKeyWVROJPJJPFWCSL-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.22
Rot. Bonds4

About N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide

N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide (PubChem CID 113094048) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
PubChem CID113094048
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CC1
InChIInChI=1S/C18H17BrN2O2/c1-12(22)21(17-9-10-17)16-7-5-15(6-8-16)20-18(23)13-3-2-4-14(19)11-13/h2-8,11,17H,9-10H2,1H3,(H,20,23)
InChIKeyWVROJPJJPFWCSL-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-[acetyl(cyclopropyl)amino]phenyl]-2-bromobenzamide
CID 113094047
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-3-bromobenzamide
CID 113093162
3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112834244
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
CID 113094036
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide
CID 113095104
3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64794650
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide?
The IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide (CID 113094048) is N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide.
What is the SMILES notation for N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide?
The canonical SMILES for N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide is CC(=O)N(c1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CC1.
What is the InChIKey of N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide?
The InChIKey is WVROJPJJPFWCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12(22)21(17-9-10-17)16-7-5-15(6-8-16)20-18(23)13-3-2-4-14(19)11-13/h2-8,11,17H,9-10H2,1H3,(H,20,23).
What are the key properties of N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide?
N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide 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-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide is sourced from PubChem (CID 113094048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).