3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide

C18H20ClN3O2 — CID 54816056

IUPAC3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc(NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-12-7-8-14(10-16(12)19)20-11-17(23)21-15-6-4-5-13(9-15)18(24)22(2)3/h4-10,20H,11H2,1-3H3,(H,21,23)
InChIKeyJEVDFLWAXWWAEZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.40
Rot. Bonds5

About 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide

3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 54816056) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID54816056
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc(NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-12-7-8-14(10-16(12)19)20-11-17(23)21-15-6-4-5-13(9-15)18(24)22(2)3/h4-10,20H,11H2,1-3H3,(H,21,23)
InChIKeyJEVDFLWAXWWAEZ-UHFFFAOYSA-N
XLogP3.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31418295
3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29454051
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29459517
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832945
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide (CID 54816056) is 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide is Cc1ccc(NCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1Cl.
What is the InChIKey of 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is JEVDFLWAXWWAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12-7-8-14(10-16(12)19)20-11-17(23)21-15-6-4-5-13(9-15)18(24)22(2)3/h4-10,20H,11H2,1-3H3,(H,21,23).
What are the key properties of 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 345.83 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54816056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).