2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide

C12H14Cl2FN3O2 — CID 83079489

IUPAC2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H14Cl2FN3O2/c1-3-16-12(20)18-11(19)6(2)17-10-8(13)4-7(15)5-9(10)14/h4-6,17H,3H2,1-2H3,(H2,16,18,19,20)
InChIKeyGBXJWZFRGYDMJK-UHFFFAOYSA-N
MW322.17 g/mol
LogP2.78
Rot. Bonds4

About 2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide

2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide (PubChem CID 83079489) has the molecular formula C12H14Cl2FN3O2 and a molecular weight of 322.17 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
PubChem CID83079489
Molecular FormulaC12H14Cl2FN3O2
Molecular Weight322.17 g/mol
Exact Mass321.04
IUPAC Name2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H14Cl2FN3O2/c1-3-16-12(20)18-11(19)6(2)17-10-8(13)4-7(15)5-9(10)14/h4-6,17H,3H2,1-2H3,(H2,16,18,19,20)
InChIKeyGBXJWZFRGYDMJK-UHFFFAOYSA-N
XLogP2.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide
CID 83081905
N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
N-cyclohexyl-2-(2,6-dichloro-4-fluoroanilino)propanamide
CID 83077775
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 47062079
2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847
2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide
CID 103478867
2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
CID 107611279
N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347825
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 43083882

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide (CID 83079489) is 2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is GBXJWZFRGYDMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FN3O2/c1-3-16-12(20)18-11(19)6(2)17-10-8(13)4-7(15)5-9(10)14/h4-6,17H,3H2,1-2H3,(H2,16,18,19,20).
What are the key properties of 2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 322.17 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 83079489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).