4-(2-bromopropanoylamino)-N-cyclopropylbenzamide

C13H15BrN2O2 — CID 107903030

IUPAC4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
SMILESCC(Br)C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C13H15BrN2O2/c1-8(14)12(17)15-10-4-2-9(3-5-10)13(18)16-11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeySVBNJOZPMKGFAC-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.30
Rot. Bonds4

About 4-(2-bromopropanoylamino)-N-cyclopropylbenzamide

4-(2-bromopropanoylamino)-N-cyclopropylbenzamide (PubChem CID 107903030) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-(2-bromopropanoylamino)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
PubChem CID107903030
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name4-(2-bromopropanoylamino)-N-cyclopropylbenzamide
SMILESCC(Br)C(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C13H15BrN2O2/c1-8(14)12(17)15-10-4-2-9(3-5-10)13(18)16-11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeySVBNJOZPMKGFAC-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N-cyclopropylbenzamide
CID 103928702
4-[(2-amino-3,3-dimethylbutanoyl)amino]-N-cyclopropylbenzamide
CID 76887468
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511588
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexylbenzamide
CID 119747199
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-acetamido-N-cyclooctylbenzamide
CID 2990044

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopropanoylamino)-N-cyclopropylbenzamide?
The IUPAC name of 4-(2-bromopropanoylamino)-N-cyclopropylbenzamide (CID 107903030) is 4-(2-bromopropanoylamino)-N-cyclopropylbenzamide.
What is the SMILES notation for 4-(2-bromopropanoylamino)-N-cyclopropylbenzamide?
The canonical SMILES for 4-(2-bromopropanoylamino)-N-cyclopropylbenzamide is CC(Br)C(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-(2-bromopropanoylamino)-N-cyclopropylbenzamide?
The InChIKey is SVBNJOZPMKGFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8(14)12(17)15-10-4-2-9(3-5-10)13(18)16-11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-(2-bromopropanoylamino)-N-cyclopropylbenzamide?
4-(2-bromopropanoylamino)-N-cyclopropylbenzamide has a molecular weight of 311.18 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopropanoylamino)-N-cyclopropylbenzamide is sourced from PubChem (CID 107903030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).