2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide

C14H20ClN3O3 — CID 18084847

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H20ClN3O3/c1-5-16-14(20)18-13(19)9(3)17-11-6-8(2)10(15)7-12(11)21-4/h6-7,9,17H,5H2,1-4H3,(H2,16,18,19,20)
InChIKeyXFRUYFWRULYSQU-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.30
Rot. Bonds5

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide (PubChem CID 18084847) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
PubChem CID18084847
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C14H20ClN3O3/c1-5-16-14(20)18-13(19)9(3)17-11-6-8(2)10(15)7-12(11)21-4/h6-7,9,17H,5H2,1-4H3,(H2,16,18,19,20)
InChIKeyXFRUYFWRULYSQU-UHFFFAOYSA-N
XLogP2.30
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide
CID 18133169
2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 43083882
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
CID 43328804
2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
methyl 2-(4-chloro-2-methoxy-5-methylanilino)butanoate
CID 113219787
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
CID 9044402
(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2471713
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide
CID 42912800
2-(4-chloro-2-methoxy-5-methylanilino)butanamide
CID 55133159
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 134062826
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide (CID 18084847) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is XFRUYFWRULYSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-5-16-14(20)18-13(19)9(3)17-11-6-8(2)10(15)7-12(11)21-4/h6-7,9,17H,5H2,1-4H3,(H2,16,18,19,20).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 313.79 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 18084847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).