2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide

C14H20FN3O3 — CID 47062079

IUPAC2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(F)cc1OCC
InChIInChI=1S/C14H20FN3O3/c1-4-16-14(20)18-13(19)9(3)17-11-7-6-10(15)8-12(11)21-5-2/h6-9,17H,4-5H2,1-3H3,(H2,16,18,19,20)
InChIKeyXMQYCTVNDDOKAT-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.87
Rot. Bonds6

About 2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide

2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide (PubChem CID 47062079) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
PubChem CID47062079
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(F)cc1OCC
InChIInChI=1S/C14H20FN3O3/c1-4-16-14(20)18-13(19)9(3)17-11-7-6-10(15)8-12(11)21-5-2/h6-9,17H,4-5H2,1-3H3,(H2,16,18,19,20)
InChIKeyXMQYCTVNDDOKAT-UHFFFAOYSA-N
XLogP1.87
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-4-fluoroanilino)propanamide
CID 94599199
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
CID 103388683
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide (CID 47062079) is 2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1ccc(F)cc1OCC.
What is the InChIKey of 2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is XMQYCTVNDDOKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-4-16-14(20)18-13(19)9(3)17-11-7-6-10(15)8-12(11)21-5-2/h6-9,17H,4-5H2,1-3H3,(H2,16,18,19,20).
What are the key properties of 2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide?
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 297.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 47062079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).