3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide

C19H22ClN3O3 — CID 29459517

IUPAC3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C19H22ClN3O3/c1-12-8-16(17(26-4)10-15(12)20)21-11-18(24)22-14-7-5-6-13(9-14)19(25)23(2)3/h5-10,21H,11H2,1-4H3,(H,22,24)
InChIKeyAFKKOHCMMYZOCB-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.41
Rot. Bonds6

About 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide

3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 29459517) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID29459517
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C19H22ClN3O3/c1-12-8-16(17(26-4)10-15(12)20)21-11-18(24)22-14-7-5-6-13(9-14)19(25)23(2)3/h5-10,21H,11H2,1-4H3,(H,22,24)
InChIKeyAFKKOHCMMYZOCB-UHFFFAOYSA-N
XLogP3.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide
CID 51225156
2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 55345496
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 60587775
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54831270
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109
3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chlorophenyl)propanamide
CID 109038015
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 109009071
3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29454051
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31418295

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide (CID 29459517) is 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide is COc1cc(Cl)c(C)cc1NCC(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is AFKKOHCMMYZOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-12-8-16(17(26-4)10-15(12)20)21-11-18(24)22-14-7-5-6-13(9-14)19(25)23(2)3/h5-10,21H,11H2,1-4H3,(H,22,24).
What are the key properties of 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 375.86 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 29459517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).