N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide

C15H22Cl2N2O — CID 3039074

IUPACN-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide
SMILESCCC(NC(=O)CN(CC)CC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-4-14(11-7-8-12(16)13(17)9-11)18-15(20)10-19(5-2)6-3/h7-9,14H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyBYEXFDAOAUMJMV-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.90
Rot. Bonds7

About N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide

N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide (PubChem CID 3039074) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide
PubChem CID3039074
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide
SMILESCCC(NC(=O)CN(CC)CC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-4-14(11-7-8-12(16)13(17)9-11)18-15(20)10-19(5-2)6-3/h7-9,14H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyBYEXFDAOAUMJMV-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
2-chloro-N-(1-(3,4-dichlorophenyl)ethyl)acetamide
CID 3686662
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 4879874
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4881897
2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883960
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 4884539
N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 2854245
5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10453927
(S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11174494

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide (CID 3039074) is N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide is CCC(NC(=O)CN(CC)CC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide?
The InChIKey is BYEXFDAOAUMJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-4-14(11-7-8-12(16)13(17)9-11)18-15(20)10-19(5-2)6-3/h7-9,14H,4-6,10H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide?
N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide has a molecular weight of 317.26 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-2-(diethylamino)acetamide is sourced from PubChem (CID 3039074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).