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

C12H15ClFN3O2 — CID 107528257

IUPAC2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H15ClFN3O2/c1-3-15-12(19)17-11(18)7(2)16-10-6-8(14)4-5-9(10)13/h4-7,16H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyFCQKMZIRPCHNEV-UHFFFAOYSA-N
MW287.72 g/mol
LogP2.13
Rot. Bonds4

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

2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide (PubChem CID 107528257) has the molecular formula C12H15ClFN3O2 and a molecular weight of 287.72 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
PubChem CID107528257
Molecular FormulaC12H15ClFN3O2
Molecular Weight287.72 g/mol
Exact Mass287.08
IUPAC Name2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H15ClFN3O2/c1-3-15-12(19)17-11(18)7(2)16-10-6-8(14)4-5-9(10)13/h4-7,16H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyFCQKMZIRPCHNEV-UHFFFAOYSA-N
XLogP2.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 83079489
2-(2-chloro-5-fluoroanilino)-N-methylpropanamide
CID 107528161
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 47062079
2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide
CID 107528240
N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 43083882
2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide
CID 103478867
2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470
N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347825
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide (CID 107528257) is 2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is FCQKMZIRPCHNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O2/c1-3-15-12(19)17-11(18)7(2)16-10-6-8(14)4-5-9(10)13/h4-7,16H,3H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 287.72 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 107528257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).