1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea

C14H21F2N3O — CID 106357317

IUPAC1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea
SMILESCC(C)(C)C(CCN)NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H21F2N3O/c1-14(2,3)12(6-7-17)19-13(20)18-11-5-4-9(15)8-10(11)16/h4-5,8,12H,6-7,17H2,1-3H3,(H2,18,19,20)
InChIKeyVCTWBTWVNLMRPF-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.85
Rot. Bonds4

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

1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 106357317) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea
PubChem CID106357317
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea
SMILESCC(C)(C)C(CCN)NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H21F2N3O/c1-14(2,3)12(6-7-17)19-13(20)18-11-5-4-9(15)8-10(11)16/h4-5,8,12H,6-7,17H2,1-3H3,(H2,18,19,20)
InChIKeyVCTWBTWVNLMRPF-UHFFFAOYSA-N
XLogP2.85
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
CID 106356974
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-methylbenzamide
CID 106357210
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307348
2-[(2,4-difluorophenyl)carbamoylamino]pentanedioic acid
CID 60828611
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
1-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-(2,4-difluorophenyl)urea
CID 61118848

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea (CID 106357317) is 1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea is CC(C)(C)C(CCN)NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is VCTWBTWVNLMRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-14(2,3)12(6-7-17)19-13(20)18-11-5-4-9(15)8-10(11)16/h4-5,8,12H,6-7,17H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea?
1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 285.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 106357317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).