N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide

C15H19Cl2NO — CID 78786076

IUPACN-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO/c1-2-7-18(10-11-3-4-11)15(19)9-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyCFWVXWVULIXHLU-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.18
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide

N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide (PubChem CID 78786076) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
PubChem CID78786076
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC NameN-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO/c1-2-7-18(10-11-3-4-11)15(19)9-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyCFWVXWVULIXHLU-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide
CID 86976376
N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
CID 142120101
2-(3-hydroxyphenyl)-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79702214
2-phenyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79720329
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
N-butyl-N-(cyclopropylmethyl)-3-[3,4-dichloro-N-[(4-fluorophenyl)methyl]anilino]propanamide
CID 127033403
2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64773768
N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide
CID 102684283
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649750
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide (CID 78786076) is N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide is CCCN(CC1CC1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide?
The InChIKey is CFWVXWVULIXHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-2-7-18(10-11-3-4-11)15(19)9-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide?
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide has a molecular weight of 300.23 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide is sourced from PubChem (CID 78786076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).