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

C19H22ClN3O3 — CID 51225156

IUPAC3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cc(C)c(Cl)cc2OC)c1
InChIInChI=1S/C19H22ClN3O3/c1-4-21-19(25)13-6-5-7-14(9-13)23-18(24)11-22-16-8-12(2)15(20)10-17(16)26-3/h5-10,22H,4,11H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyGNETZCAKSASRTP-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.46
Rot. Bonds7

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

3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide (PubChem CID 51225156) 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-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide
PubChem CID51225156
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cc(C)c(Cl)cc2OC)c1
InChIInChI=1S/C19H22ClN3O3/c1-4-21-19(25)13-6-5-7-14(9-13)23-18(24)11-22-16-8-12(2)15(20)10-17(16)26-3/h5-10,22H,4,11H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyGNETZCAKSASRTP-UHFFFAOYSA-N
XLogP3.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29459517
3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 47079023
ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
CID 9270970
N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54838041
2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 55345496
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chlorophenyl)propanamide
CID 109038015
3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 41397412
4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 60561506
3,5-dichloro-N-[3-(ethylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51217682
N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 34078183
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 109009071
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide (CID 51225156) is 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CNc2cc(C)c(Cl)cc2OC)c1.
What is the InChIKey of 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide?
The InChIKey is GNETZCAKSASRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-4-21-19(25)13-6-5-7-14(9-13)23-18(24)11-22-16-8-12(2)15(20)10-17(16)26-3/h5-10,22H,4,11H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide?
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide has a molecular weight of 375.86 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 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-ethylbenzamide is sourced from PubChem (CID 51225156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).