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

C14H20FN3O2 — CID 78818776

IUPACN-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(CC)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-4-16-14(20)17-13(19)10(3)18(5-2)12-8-6-11(15)7-9-12/h6-10H,4-5H2,1-3H3,(H2,16,17,19,20)
InChIKeyFVOUNWOOELTWKQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.89
Rot. Bonds5

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

N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide (PubChem CID 78818776) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide
PubChem CID78818776
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(CC)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-4-16-14(20)17-13(19)10(3)18(5-2)12-8-6-11(15)7-9-12/h6-10H,4-5H2,1-3H3,(H2,16,17,19,20)
InChIKeyFVOUNWOOELTWKQ-UHFFFAOYSA-N
XLogP1.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-ethyl-4-fluoroanilino)pentan-3-one
CID 64866058
(2S)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 143204775
N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 42960410
N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347825
2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 78819123
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
(2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide
CID 97237391
N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112798459
2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554
2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide
CID 63233816
N-(ethylcarbamoyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylacetamide
CID 94217661

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide (CID 78818776) is N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide is CCNC(=O)NC(=O)C(C)N(CC)c1ccc(F)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide?
The InChIKey is FVOUNWOOELTWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-4-16-14(20)17-13(19)10(3)18(5-2)12-8-6-11(15)7-9-12/h6-10H,4-5H2,1-3H3,(H2,16,17,19,20).
What are the key properties of N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide?
N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide has a molecular weight of 281.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide is sourced from PubChem (CID 78818776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).