1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea

C12H17F2N3O — CID 113376862

IUPAC1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea
SMILESCC(N)CC(C)NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H17F2N3O/c1-7(15)5-8(2)16-12(18)17-11-4-3-9(13)6-10(11)14/h3-4,6-8H,5,15H2,1-2H3,(H2,16,17,18)
InChIKeyRENRXGVLGBZEKQ-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.21
Rot. Bonds4

About 1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea

1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 113376862) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea
PubChem CID113376862
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea
SMILESCC(N)CC(C)NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H17F2N3O/c1-7(15)5-8(2)16-12(18)17-11-4-3-9(13)6-10(11)14/h3-4,6-8H,5,15H2,1-2H3,(H2,16,17,18)
InChIKeyRENRXGVLGBZEKQ-UHFFFAOYSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
1-(4-amino-3-methylbutan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113485155
1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea
CID 106357317
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea
CID 154969132
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(2,4-difluorophenyl)urea
CID 62668202
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea (CID 113376862) is 1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea is CC(N)CC(C)NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is RENRXGVLGBZEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-7(15)5-8(2)16-12(18)17-11-4-3-9(13)6-10(11)14/h3-4,6-8H,5,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea?
1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 257.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 113376862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).