(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide

C13H16Cl2N2O3 — CID 46179903

IUPAC(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-8(18)17-12(7-20-2)13(19)16-6-9-3-4-10(14)11(15)5-9/h3-5,12H,6-7H2,1-2H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyHRGWJWIHTMKFTP-GFCCVEGCSA-N
MW319.19 g/mol
LogP1.76
Rot. Bonds6

About (2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide

(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide (PubChem CID 46179903) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide
PubChem CID46179903
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-8(18)17-12(7-20-2)13(19)16-6-9-3-4-10(14)11(15)5-9/h3-5,12H,6-7H2,1-2H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKeyHRGWJWIHTMKFTP-GFCCVEGCSA-N
XLogP1.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
(2R)-2-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 45486412
2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473
(2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide
CID 45486472
(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide
CID 44538367
(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
CID 44538364
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 106182352
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane
CID 160768830
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107769128
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide (CID 46179903) is (2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide is COC[C@@H](NC(C)=O)C(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide?
The InChIKey is HRGWJWIHTMKFTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-8(18)17-12(7-20-2)13(19)16-6-9-3-4-10(14)11(15)5-9/h3-5,12H,6-7H2,1-2H3,(H,16,19)(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide?
(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide has a molecular weight of 319.19 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 46179903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).