N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide

C16H18ClN3O — CID 62002960

IUPACN-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
SMILESCc1ccccc1N(C)CC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H18ClN3O/c1-11-5-3-4-6-15(11)20(2)10-16(21)19-14-9-12(17)7-8-13(14)18/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeySVISUCPBMBDQDW-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.31
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide

N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide (PubChem CID 62002960) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
PubChem CID62002960
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
SMILESCc1ccccc1N(C)CC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H18ClN3O/c1-11-5-3-4-6-15(11)20(2)10-16(21)19-14-9-12(17)7-8-13(14)18/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeySVISUCPBMBDQDW-UHFFFAOYSA-N
XLogP3.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide 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

N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62003331
2-(N-acetyl-2-methylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113167437
N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62770873
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
2-(5-chloro-N,2-dimethylanilino)-N-(2-chloro-6-methylphenyl)acetamide
CID 90930035
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61243364
N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
CID 55353426
2-[[2-(2-amino-5-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101401
N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718
2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107466274

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide (CID 62002960) is N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide is Cc1ccccc1N(C)CC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide?
The InChIKey is SVISUCPBMBDQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-5-3-4-6-15(11)20(2)10-16(21)19-14-9-12(17)7-8-13(14)18/h3-9H,10,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide?
N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide is sourced from PubChem (CID 62002960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).