2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide

C21H24Cl2N2O — CID 15130828

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide
SMILESC=CCN(C)C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O/c1-4-12-24(2)15-20(17-8-6-5-7-9-17)25(3)21(26)14-16-10-11-18(22)19(23)13-16/h4-11,13,20H,1,12,14-15H2,2-3H3/t20-/m1/s1
InChIKeyBJJKSMKQNRKQQY-HXUWFJFHSA-N
MW391.34 g/mol
LogP4.85
Rot. Bonds8

About 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide

2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide (PubChem CID 15130828) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide
PubChem CID15130828
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide
SMILESC=CCN(C)C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O/c1-4-12-24(2)15-20(17-8-6-5-7-9-17)25(3)21(26)14-16-10-11-18(22)19(23)13-16/h4-11,13,20H,1,12,14-15H2,2-3H3/t20-/m1/s1
InChIKeyBJJKSMKQNRKQQY-HXUWFJFHSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

U-47700
CID 71719125
rel-3,4-Dichloro-N-methyl-N-((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 3036289
3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 5619
4-((3,4-Dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylic acid methyl ester
CID 3505
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
GR-103545
CID 6603856
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
CID 6604724
Lpk-26
CID 10043746
BRL 52537 hydrochloride
CID 11315337
1-[(3S)-4-[2-(3,4-dichlorophenyl)acetyl]-3-[(1S)-1-pyrrolidin-1-ylethyl]piperazin-1-yl]propan-1-one
CID 10342393
(S)-methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-((S)-1-(pyrrolidin-1-yl)ethyl)piperazine-1-carboxylate
CID 11069974
2-(3,4-Dichlorophenyl)-N-methyl-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide
CID 127914

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide (CID 15130828) is 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide is C=CCN(C)C[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide?
The InChIKey is BJJKSMKQNRKQQY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-4-12-24(2)15-20(17-8-6-5-7-9-17)25(3)21(26)14-16-10-11-18(22)19(23)13-16/h4-11,13,20H,1,12,14-15H2,2-3H3/t20-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide?
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide has a molecular weight of 391.34 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-2-[methyl(prop-2-enyl)amino]-1-phenylethyl]acetamide is sourced from PubChem (CID 15130828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).