2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide

C18H20ClN3O3 — CID 17480510

IUPAC2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C18H20ClN3O3/c1-11(20-14-5-4-6-15(10-14)21-12(2)23)18(24)22-16-9-13(19)7-8-17(16)25-3/h4-11,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyHCXXFSXYSFMWGR-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.75
Rot. Bonds6

About 2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide

2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 17480510) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID17480510
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C18H20ClN3O3/c1-11(20-14-5-4-6-15(10-14)21-12(2)23)18(24)22-16-9-13(19)7-8-17(16)25-3/h4-11,20H,1-3H3,(H,21,23)(H,22,24)
InChIKeyHCXXFSXYSFMWGR-UHFFFAOYSA-N
XLogP3.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methoxyphenyl)butanamide
CID 18901133
N-(5-acetamido-2-methoxyphenyl)-2-[1-(2,4-dichlorophenyl)ethylamino]propanamide
CID 46527155
4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 25355176
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide (CID 17480510) is 2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)C(C)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is HCXXFSXYSFMWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11(20-14-5-4-6-15(10-14)21-12(2)23)18(24)22-16-9-13(19)7-8-17(16)25-3/h4-11,20H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 361.83 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 17480510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).