(3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide

C15H19BrN2O2 — CID 7330187

IUPAC(3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide
SMILESC=CCNC(=O)C[C@@H](C)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O2/c1-3-7-17-14(19)8-11(2)9-15(20)18-13-6-4-5-12(16)10-13/h3-6,10-11H,1,7-9H2,2H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyUHSWIIGUADXLPI-LLVKDONJSA-N
MW339.23 g/mol
LogP3.11
Rot. Bonds7

About (3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide

(3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide (PubChem CID 7330187) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide.

Molecular Properties

Compound Name(3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide
PubChem CID7330187
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide
SMILESC=CCNC(=O)C[C@@H](C)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O2/c1-3-7-17-14(19)8-11(2)9-15(20)18-13-6-4-5-12(16)10-13/h3-6,10-11H,1,7-9H2,2H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyUHSWIIGUADXLPI-LLVKDONJSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
3-methyl-N-[3-[[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]methyl]phenyl]butanamide;hydroiodide
CID 110983281
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
CID 54831655
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide
CID 92708090
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide
CID 3607807
2-(3-acetamidoanilino)-N-prop-2-enylacetamide
CID 54831608

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide?
The IUPAC name of (3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide (CID 7330187) is (3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide.
What is the SMILES notation for (3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide?
The canonical SMILES for (3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide is C=CCNC(=O)C[C@@H](C)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of (3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide?
The InChIKey is UHSWIIGUADXLPI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-3-7-17-14(19)8-11(2)9-15(20)18-13-6-4-5-12(16)10-13/h3-6,10-11H,1,7-9H2,2H3,(H,17,19)(H,18,20)/t11-/m1/s1.
What are the key properties of (3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide?
(3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide has a molecular weight of 339.23 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-bromophenyl)-3-methyl-N'-prop-2-enylpentanediamide is sourced from PubChem (CID 7330187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).