2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide

C20H26ClN3O — CID 109008653

IUPAC2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(C)c(Cl)c2)c(C)c1
InChIInChI=1S/C20H26ClN3O/c1-5-24(6-2)17-9-10-19(15(4)11-17)23-20(25)13-22-16-8-7-14(3)18(21)12-16/h7-12,22H,5-6,13H2,1-4H3,(H,23,25)
InChIKeyIURPZIRQXWDQDI-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.85
Rot. Bonds7

About 2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide

2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide (PubChem CID 109008653) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
PubChem CID109008653
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(C)c(Cl)c2)c(C)c1
InChIInChI=1S/C20H26ClN3O/c1-5-24(6-2)17-9-10-19(15(4)11-17)23-20(25)13-22-16-8-7-14(3)18(21)12-16/h7-12,22H,5-6,13H2,1-4H3,(H,23,25)
InChIKeyIURPZIRQXWDQDI-UHFFFAOYSA-N
XLogP4.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.85
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-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 109009396
1-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108866430
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007429
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide
CID 108955203
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide (CID 109008653) is 2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide is CCN(CC)c1ccc(NC(=O)CNc2ccc(C)c(Cl)c2)c(C)c1.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The InChIKey is IURPZIRQXWDQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-5-24(6-2)17-9-10-19(15(4)11-17)23-20(25)13-22-16-8-7-14(3)18(21)12-16/h7-12,22H,5-6,13H2,1-4H3,(H,23,25).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide has a molecular weight of 359.90 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 109008653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).