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

C17H20ClN3O2 — CID 109008895

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C17H20ClN3O2/c1-21(2)14-7-5-13(6-8-14)19-11-17(22)20-15-10-12(18)4-9-16(15)23-3/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyBGKZAWQBQMILES-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.47
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide (PubChem CID 109008895) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide
PubChem CID109008895
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNc1ccc(N(C)C)cc1
InChIInChI=1S/C17H20ClN3O2/c1-21(2)14-7-5-13(6-8-14)19-11-17(22)20-15-10-12(18)4-9-16(15)23-3/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyBGKZAWQBQMILES-UHFFFAOYSA-N
XLogP3.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-oxobutanamide
CID 98791
N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
CID 2386166
N-(5-chloro-2-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2947640
N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpropanamide
CID 567615
N-(4-chlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 890994
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2986544
3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide
CID 70689087
N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846496
N-(3-chlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 892452
N-(5-chloro-2-methoxyphenyl)-N'-(1-propyl-4-piperidinyl)urea
CID 971845
N-(5-chloro-2-methoxyphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 2225448

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide (CID 109008895) is N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide is COc1ccc(Cl)cc1NC(=O)CNc1ccc(N(C)C)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide?
The InChIKey is BGKZAWQBQMILES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-21(2)14-7-5-13(6-8-14)19-11-17(22)20-15-10-12(18)4-9-16(15)23-3/h4-10,19H,11H2,1-3H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide has a molecular weight of 333.82 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)anilino]acetamide is sourced from PubChem (CID 109008895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).