2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide

C16H18ClN3O — CID 109008440

IUPAC2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O/c1-20(2)15-8-6-13(7-9-15)19-16(21)11-18-14-5-3-4-12(17)10-14/h3-10,18H,11H2,1-2H3,(H,19,21)
InChIKeySPEJHUKXEYLJHG-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.46
Rot. Bonds5

About 2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide

2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 109008440) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID109008440
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O/c1-20(2)15-8-6-13(7-9-15)19-16(21)11-18-14-5-3-4-12(17)10-14/h3-10,18H,11H2,1-2H3,(H,19,21)
InChIKeySPEJHUKXEYLJHG-UHFFFAOYSA-N
XLogP3.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008699
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
N-[4-[[2-(3-chloroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54809091
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008556
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
2-(4-bromo-3-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 107619813

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide (CID 109008440) is 2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is SPEJHUKXEYLJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(2)15-8-6-13(7-9-15)19-16(21)11-18-14-5-3-4-12(17)10-14/h3-10,18H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide?
2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 109008440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).