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

C13H15Cl2NO — CID 61061495

IUPACN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C13H15Cl2NO/c1-2-13(17)16(10-4-5-10)8-9-3-6-11(14)12(15)7-9/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyWZURLJJBIYZCHF-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.89
Rot. Bonds4

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

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide (PubChem CID 61061495) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
PubChem CID61061495
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C13H15Cl2NO/c1-2-13(17)16(10-4-5-10)8-9-3-6-11(14)12(15)7-9/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyWZURLJJBIYZCHF-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide
CID 61061923
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
CID 54872475
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide
CID 60947854
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide
CID 119740757
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 65227497
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
CID 86802858
N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
CID 142120101
1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide
CID 81172021
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119740768
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]propanamide
CID 69301683

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide (CID 61061495) is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide is CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide?
The InChIKey is WZURLJJBIYZCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-2-13(17)16(10-4-5-10)8-9-3-6-11(14)12(15)7-9/h3,6-7,10H,2,4-5,8H2,1H3.
What are the key properties of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide?
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide has a molecular weight of 272.17 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide is sourced from PubChem (CID 61061495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).