(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide

C12H15F2N3O2 — CID 92541927

IUPAC(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2N3O2/c1-3-15-11(18)7(2)16-12(19)17-10-5-4-8(13)6-9(10)14/h4-7H,3H2,1-2H3,(H,15,18)(H2,16,17,19)/t7-/m0/s1
InChIKeyLKCWUXXZWZGWOM-ZETCQYMHSA-N
MW271.27 g/mol
LogP1.61
Rot. Bonds4

About (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide

(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide (PubChem CID 92541927) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
PubChem CID92541927
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H15F2N3O2/c1-3-15-11(18)7(2)16-12(19)17-10-5-4-8(13)6-9(10)14/h4-7H,3H2,1-2H3,(H,15,18)(H2,16,17,19)/t7-/m0/s1
InChIKeyLKCWUXXZWZGWOM-ZETCQYMHSA-N
XLogP1.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539
(2R)-2-[(2-chloro-4-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 51981491
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113376862
1-(4-amino-3-methylbutan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113485155
5-chloro-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61478844
(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
CID 38214366
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid
CID 61478806
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide (CID 92541927) is (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide is CCNC(=O)[C@H](C)NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide?
The InChIKey is LKCWUXXZWZGWOM-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-3-15-11(18)7(2)16-12(19)17-10-5-4-8(13)6-9(10)14/h4-7H,3H2,1-2H3,(H,15,18)(H2,16,17,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide?
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide has a molecular weight of 271.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide is sourced from PubChem (CID 92541927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).