1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea

C15H23FN2O — CID 144685819

IUPAC1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea
SMILESCCC(C)C(C)CNC(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C15H23FN2O/c1-5-11(3)12(4)9-17-15(19)18-14-7-6-10(2)8-13(14)16/h6-8,11-12H,5,9H2,1-4H3,(H2,17,18,19)
InChIKeySQBPDZKTHAMBMO-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.94
Rot. Bonds5

About 1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea

1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea (PubChem CID 144685819) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea
PubChem CID144685819
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea
SMILESCCC(C)C(C)CNC(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C15H23FN2O/c1-5-11(3)12(4)9-17-15(19)18-14-7-6-10(2)8-13(14)16/h6-8,11-12H,5,9H2,1-4H3,(H2,17,18,19)
InChIKeySQBPDZKTHAMBMO-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea
CID 47032291
(2S)-2-[(2-fluoro-4-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61199980
2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60646943
2-ethyl-N-(2-fluoro-4-methylphenyl)pentanamide
CID 145282464
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
N-(2-fluoro-4-methylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926222
1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 46494085
methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878987
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
3-fluoro-4-(2-methylpropylcarbamoylamino)benzoic acid
CID 63190192
(2S)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 61471009

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea?
The IUPAC name of 1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea (CID 144685819) is 1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea.
What is the SMILES notation for 1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea?
The canonical SMILES for 1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea is CCC(C)C(C)CNC(=O)Nc1ccc(C)cc1F.
What is the InChIKey of 1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea?
The InChIKey is SQBPDZKTHAMBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-5-11(3)12(4)9-17-15(19)18-14-7-6-10(2)8-13(14)16/h6-8,11-12H,5,9H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea?
1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea has a molecular weight of 266.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 144685819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).