2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide

C15H23Cl2N3O — CID 119866058

IUPAC2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN
InChIInChI=1S/C15H23Cl2N3O/c1-3-19(4-2)7-8-20(15(21)10-18)11-12-5-6-13(16)14(17)9-12/h5-6,9H,3-4,7-8,10-11,18H2,1-2H3
InChIKeyNDQJHBSEQRONPL-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.62
Rot. Bonds8

About 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide

2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 119866058) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide
PubChem CID119866058
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC Name2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN
InChIInChI=1S/C15H23Cl2N3O/c1-3-19(4-2)7-8-20(15(21)10-18)11-12-5-6-13(16)14(17)9-12/h5-6,9H,3-4,7-8,10-11,18H2,1-2H3
InChIKeyNDQJHBSEQRONPL-UHFFFAOYSA-N
XLogP2.62
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-Dichloro-benzyl)-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 15113313
2-chloro-N-(1-(3,4-dichlorophenyl)ethyl)acetamide
CID 3686662
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-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 2854245
(S)-N-(2,3-dichlorobenzyl)-3-methyl-N-(pyrrolidin-3-yl)butanamide
CID 11500848
(R)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11544186
(S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11573849
(S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11659664
N-[1''-(3,4-Dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-acetamide
CID 44399552
N-(3,4-dichlorobenzyl)-4-isopropylpiperazine-1-carboxamide
CID 44418576

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide (CID 119866058) is 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is NDQJHBSEQRONPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3O/c1-3-19(4-2)7-8-20(15(21)10-18)11-12-5-6-13(16)14(17)9-12/h5-6,9H,3-4,7-8,10-11,18H2,1-2H3.
What are the key properties of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide?
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 332.28 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 119866058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).