N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide

C17H20ClN3O — CID 109008556

IUPACN-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C17H20ClN3O/c1-12-4-5-13(18)10-16(12)20-17(22)11-19-14-6-8-15(9-7-14)21(2)3/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyZFTRABPNNDYJMP-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.77
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide (PubChem CID 109008556) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
PubChem CID109008556
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C17H20ClN3O/c1-12-4-5-13(18)10-16(12)20-17(22)11-19-14-6-8-15(9-7-14)21(2)3/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyZFTRABPNNDYJMP-UHFFFAOYSA-N
XLogP3.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.77
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

N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008895
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide
CID 109010316
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834006
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840290
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
2-(3-chloroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008440
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109010323

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide (CID 109008556) is N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNc1ccc(N(C)C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide?
The InChIKey is ZFTRABPNNDYJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12-4-5-13(18)10-16(12)20-17(22)11-19-14-6-8-15(9-7-14)21(2)3/h4-10,19H,11H2,1-3H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide has a molecular weight of 317.82 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide is sourced from PubChem (CID 109008556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).