2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide

C13H18ClN3O3 — CID 43083882

IUPAC2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H18ClN3O3/c1-4-15-13(19)17-12(18)8(2)16-10-7-9(14)5-6-11(10)20-3/h5-8,16H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyULXKDFUIDFGQAA-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.99
Rot. Bonds5

About 2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide

2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide (PubChem CID 43083882) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide
PubChem CID43083882
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H18ClN3O3/c1-4-15-13(19)17-12(18)8(2)16-10-7-9(14)5-6-11(10)20-3/h5-8,16H,4H2,1-3H3,(H2,15,17,18,19)
InChIKeyULXKDFUIDFGQAA-UHFFFAOYSA-N
XLogP1.99
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
CID 51928333
2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
CID 43083885
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
(2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 29203219
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 47062079
N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide
CID 18133169

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide (CID 43083882) is 2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is ULXKDFUIDFGQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-4-15-13(19)17-12(18)8(2)16-10-7-9(14)5-6-11(10)20-3/h5-8,16H,4H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 299.76 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 43083882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).