2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide

C13H15BrN2O2 — CID 113158461

IUPAC2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C13H15BrN2O2/c1-9(17)16(12-5-6-12)8-13(18)15-11-4-2-3-10(14)7-11/h2-4,7,12H,5-6,8H2,1H3,(H,15,18)
InChIKeyVPOGCOBVXYODAT-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.40
Rot. Bonds4

About 2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide

2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide (PubChem CID 113158461) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
PubChem CID113158461
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C13H15BrN2O2/c1-9(17)16(12-5-6-12)8-13(18)15-11-4-2-3-10(14)7-11/h2-4,7,12H,5-6,8H2,1H3,(H,15,18)
InChIKeyVPOGCOBVXYODAT-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide
CID 113159568
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437
2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978714
2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158463
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide
CID 113160547
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 62976482
2-[azepan-4-yl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 104979514
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
CID 113165079
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 113159571

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide (CID 113158461) is 2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(Br)c1)C1CC1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide?
The InChIKey is VPOGCOBVXYODAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-9(17)16(12-5-6-12)8-13(18)15-11-4-2-3-10(14)7-11/h2-4,7,12H,5-6,8H2,1H3,(H,15,18).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide?
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide has a molecular weight of 311.18 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 113158461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).