(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide

C19H20Cl2N2O2 — CID 9197004

IUPAC(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-12(23(3)11-15-7-8-16(20)10-18(15)21)19(25)22-17-6-4-5-14(9-17)13(2)24/h4-10,12H,11H2,1-3H3,(H,22,25)/t12-/m1/s1
InChIKeyIKDGZONHZOWCFQ-GFCCVEGCSA-N
MW379.29 g/mol
LogP4.66
Rot. Bonds6

About (2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide

(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide (PubChem CID 9197004) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide
PubChem CID9197004
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-12(23(3)11-15-7-8-16(20)10-18(15)21)19(25)22-17-6-4-5-14(9-17)13(2)24/h4-10,12H,11H2,1-3H3,(H,22,25)/t12-/m1/s1
InChIKeyIKDGZONHZOWCFQ-GFCCVEGCSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 9045544
(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide
CID 8805401
(2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
CID 8550993
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119912317
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9037867
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517313
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide
CID 108986646
[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-chloro-2-hydroxybenzoate
CID 55325734
N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 17436769

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide (CID 9197004) is (2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide?
The InChIKey is IKDGZONHZOWCFQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-12(23(3)11-15-7-8-16(20)10-18(15)21)19(25)22-17-6-4-5-14(9-17)13(2)24/h4-10,12H,11H2,1-3H3,(H,22,25)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide?
(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide has a molecular weight of 379.29 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 9197004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).