2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide

C15H22FN3O — CID 63927629

IUPAC2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide
SMILESCCN(CC(NC)(C(N)=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-3-19(13-8-6-12(16)7-9-13)10-15(18-2,14(17)20)11-4-5-11/h6-9,11,18H,3-5,10H2,1-2H3,(H2,17,20)
InChIKeyUOWPCINPLSCDKJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.51
Rot. Bonds7

About 2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide

2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide (PubChem CID 63927629) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide
PubChem CID63927629
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide
SMILESCCN(CC(NC)(C(N)=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-3-19(13-8-6-12(16)7-9-13)10-15(18-2,14(17)20)11-4-5-11/h6-9,11,18H,3-5,10H2,1-2H3,(H2,17,20)
InChIKeyUOWPCINPLSCDKJ-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide
CID 63919628
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid
CID 63927214
methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate
CID 63909571
2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide
CID 63919444
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-2-methylanilino)propanamide
CID 63906338
2-cyclopropyl-2-(methylamino)-3-[methyl(propan-2-yl)amino]propanamide
CID 63908080
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid
CID 63907183
2-cyclopropyl-2-(methylamino)-3-[propan-2-yl(propyl)amino]propanamide
CID 63910696
N,N-diethyl-4-fluoroaniline
CID 592416
(Z)-4-(N-ethyl-4-fluoroanilino)-3-(methylamino)but-2-enamide
CID 122630764
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
1-N-ethyl-1-N-(4-fluorophenyl)-2,2,3-trimethylbutane-1,3-diamine
CID 65267083

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide (CID 63927629) is 2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide is CCN(CC(NC)(C(N)=O)C1CC1)c1ccc(F)cc1.
What is the InChIKey of 2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide?
The InChIKey is UOWPCINPLSCDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-19(13-8-6-12(16)7-9-13)10-15(18-2,14(17)20)11-4-5-11/h6-9,11,18H,3-5,10H2,1-2H3,(H2,17,20).
What are the key properties of 2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide?
2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide has a molecular weight of 279.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide is sourced from PubChem (CID 63927629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).