3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide

C10H10Cl2N2O2 — CID 148837488

IUPAC3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide
SMILESNCC(=O)C(=O)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2N2O2/c11-7-3-1-2-6(9(7)12)5-14-10(16)8(15)4-13/h1-3H,4-5,13H2,(H,14,16)
InChIKeyOUWMOZYLHDJRKY-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.14
Rot. Bonds4

About 3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide

3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide (PubChem CID 148837488) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide.

Molecular Properties

Compound Name3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide
PubChem CID148837488
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide
SMILESNCC(=O)C(=O)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2N2O2/c11-7-3-1-2-6(9(7)12)5-14-10(16)8(15)4-13/h1-3H,4-5,13H2,(H,14,16)
InChIKeyOUWMOZYLHDJRKY-UHFFFAOYSA-N
XLogP1.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(2,3-dichlorophenyl)methyl]carbamate
CID 11673101
(2S)-2-amino-N-[(2,3-dichlorophenyl)methyl]-3-methylbutanamide
CID 57022701
(E)-4-[(2,3-dichlorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 134114688
(E)-N-[(2,3-dichlorophenyl)methyl]-3-ethoxy-3-hydroxyprop-2-enamide
CID 134090203
N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 108506084
2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide
CID 61219594
5-[(2,3-dichlorophenyl)methylamino]-3-methyl-5-oxopentanoic acid
CID 134107047
2-[[2-[(2,3-dichlorophenyl)methylamino]acetyl]amino]acetic acid
CID 82364686
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309
1-(4-aminophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107308085
N-(4-acetylphenyl)-2-[(2,3-dichlorophenyl)methylamino]-2-sulfanylideneacetamide
CID 134112098
(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 131895525

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide?
The IUPAC name of 3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide (CID 148837488) is 3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide.
What is the SMILES notation for 3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide?
The canonical SMILES for 3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide is NCC(=O)C(=O)NCc1cccc(Cl)c1Cl.
What is the InChIKey of 3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide?
The InChIKey is OUWMOZYLHDJRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c11-7-3-1-2-6(9(7)12)5-14-10(16)8(15)4-13/h1-3H,4-5,13H2,(H,14,16).
What are the key properties of 3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide?
3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide has a molecular weight of 261.11 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,3-dichlorophenyl)methyl]-2-oxopropanamide is sourced from PubChem (CID 148837488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).