3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide

C13H18Cl2N2O — CID 115761702

IUPAC3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)17-13(18)5-6-16-8-10-7-11(14)3-4-12(10)15/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyKMAKBXVMMCYUTE-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.00
Rot. Bonds6

About 3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide

3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 115761702) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
PubChem CID115761702
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)17-13(18)5-6-16-8-10-7-11(14)3-4-12(10)15/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyKMAKBXVMMCYUTE-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-bromo-5-chlorophenyl)methylamino]-N-butan-2-ylpropanamide
CID 66160355
3-[(5-bromo-2-chlorophenyl)methylamino]-N-butan-2-ylpropanamide
CID 103792629
N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 65316170
3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide
CID 109020077
3-[[N'-[(2,4-dichlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111197863
2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
CID 171546068
3-[(2,6-difluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684717
2-[(5-chloro-2-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 78998709
3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide
CID 172652013
N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 103844872
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
3-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111720307

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide (CID 115761702) is 3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is KMAKBXVMMCYUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(2)17-13(18)5-6-16-8-10-7-11(14)3-4-12(10)15/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide?
3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 289.21 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115761702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).