3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide

C18H20ClN3O3 — CID 47079023

IUPAC3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cc(OC)ccc2Cl)c1
InChIInChI=1S/C18H20ClN3O3/c1-3-20-18(24)12-5-4-6-13(9-12)22-17(23)11-21-16-10-14(25-2)7-8-15(16)19/h4-10,21H,3,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyPEFPZEKDHVDBCB-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.15
Rot. Bonds7

About 3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide

3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide (PubChem CID 47079023) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide
PubChem CID47079023
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2cc(OC)ccc2Cl)c1
InChIInChI=1S/C18H20ClN3O3/c1-3-20-18(24)12-5-4-6-13(9-12)22-17(23)11-21-16-10-14(25-2)7-8-15(16)19/h4-10,21H,3,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyPEFPZEKDHVDBCB-UHFFFAOYSA-N
XLogP3.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.15
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-ethylbenzamide
CID 51225156
2-(2-chloro-5-methoxyanilino)-N-phenylacetamide
CID 47408313
3-[[2-(2,5-diethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 41397412
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 34078183
3-[[2-[4-(difluoromethoxy)anilino]acetyl]amino]-N-ethylbenzamide
CID 34067115
N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819787
N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54838041
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54815217
4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 60561506

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide (CID 47079023) is 3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CNc2cc(OC)ccc2Cl)c1.
What is the InChIKey of 3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide?
The InChIKey is PEFPZEKDHVDBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-3-20-18(24)12-5-4-6-13(9-12)22-17(23)11-21-16-10-14(25-2)7-8-15(16)19/h4-10,21H,3,11H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide?
3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide has a molecular weight of 361.83 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chloro-5-methoxyanilino)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 47079023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).