N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide

C13H16Cl2N2O — CID 78978000

IUPACN-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C13H16Cl2N2O/c14-10-2-1-9(12(15)7-10)8-16-6-5-13(18)17-11-3-4-11/h1-2,7,11,16H,3-6,8H2,(H,17,18)
InChIKeyCMWGQWTVAFEOGW-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.75
Rot. Bonds6

About N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide

N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide (PubChem CID 78978000) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
PubChem CID78978000
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C13H16Cl2N2O/c14-10-2-1-9(12(15)7-10)8-16-6-5-13(18)17-11-3-4-11/h1-2,7,11,16H,3-6,8H2,(H,17,18)
InChIKeyCMWGQWTVAFEOGW-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.75
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-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide
CID 103792790
N-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)acetamide;hydrochloride
CID 119474323
2-(2,4-dichlorophenyl)-N-(4-phenylcyclohexyl)acetamide
CID 22076139
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 106862345
2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
N-cyclopropyl-4-[[N'-[(2,4-dichlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111197683
2-(2,4-dichlorophenyl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46469925
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140
2-(cyclopropylcarbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 112995921
3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81281134
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide (CID 78978000) is N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide is O=C(CCNCc1ccc(Cl)cc1Cl)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide?
The InChIKey is CMWGQWTVAFEOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-10-2-1-9(12(15)7-10)8-16-6-5-13(18)17-11-3-4-11/h1-2,7,11,16H,3-6,8H2,(H,17,18).
What are the key properties of N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide?
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide has a molecular weight of 287.19 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide is sourced from PubChem (CID 78978000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).