4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide

C20H24ClN3O2 — CID 54834006

IUPAC4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C20H24ClN3O2/c1-4-24(5-2)20(26)15-7-10-17(11-8-15)22-13-19(25)23-18-12-16(21)9-6-14(18)3/h6-12,22H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyIOYQJDFUHDVTLC-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.18
Rot. Bonds7

About 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide

4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide (PubChem CID 54834006) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
PubChem CID54834006
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C20H24ClN3O2/c1-4-24(5-2)20(26)15-7-10-17(11-8-15)22-13-19(25)23-18-12-16(21)9-6-14(18)3/h6-12,22H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyIOYQJDFUHDVTLC-UHFFFAOYSA-N
XLogP4.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26507410
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008556
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840290
N-(5-chloro-2-methylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841442
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 54833878
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
4-[[2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 55896896
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide (CID 54834006) is 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NCC(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The InChIKey is IOYQJDFUHDVTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-4-24(5-2)20(26)15-7-10-17(11-8-15)22-13-19(25)23-18-12-16(21)9-6-14(18)3/h6-12,22H,4-5,13H2,1-3H3,(H,23,25).
What are the key properties of 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide has a molecular weight of 373.88 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 54834006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).