N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide

C13H17Cl2NO — CID 142120101

IUPACN-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC
InChIInChI=1S/C13H17Cl2NO/c1-3-7-16(13(17)4-2)9-10-5-6-11(14)12(15)8-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyJSWFOGDUGQRQBM-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.14
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide (PubChem CID 142120101) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
PubChem CID142120101
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC
InChIInChI=1S/C13H17Cl2NO/c1-3-7-16(13(17)4-2)9-10-5-6-11(14)12(15)8-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyJSWFOGDUGQRQBM-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide
CID 119866058
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
CID 61061495
3-[(3,4-dichlorophenyl)methyl-propylamino]propanoic acid
CID 82327861
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
CID 78786076
(2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide
CID 100596073
2,2-dichloro-N-[(3,4-dichlorophenyl)methyl]-N-(3-ethoxypropyl)acetamide
CID 154099049
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide
CID 112792453
N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 5171874
2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide
CID 132701189
N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(oxan-4-yl)acetamide
CID 75470667

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide (CID 142120101) is N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide is CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide?
The InChIKey is JSWFOGDUGQRQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-3-7-16(13(17)4-2)9-10-5-6-11(14)12(15)8-10/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide?
N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide has a molecular weight of 274.19 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide is sourced from PubChem (CID 142120101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).