1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea

C15H22F2N2O2 — CID 111506835

IUPAC1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCCC(NC(=O)NCC(C)CCO)c1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2O2/c1-3-14(12-8-11(16)4-5-13(12)17)19-15(21)18-9-10(2)6-7-20/h4-5,8,10,14,20H,3,6-7,9H2,1-2H3,(H2,18,19,21)
InChIKeyVEGVZZJBAAHRRB-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.73
Rot. Bonds7

About 1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea

1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111506835) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111506835
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCCC(NC(=O)NCC(C)CCO)c1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2O2/c1-3-14(12-8-11(16)4-5-13(12)17)19-15(21)18-9-10(2)6-7-20/h4-5,8,10,14,20H,3,6-7,9H2,1-2H3,(H2,18,19,21)
InChIKeyVEGVZZJBAAHRRB-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,5-difluorophenyl)propyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111456030
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505680
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172
1-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508335
N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109389051
1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508454
4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide
CID 120593154
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508273
4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 66092240
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66108784
1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 111474156

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111506835) is 1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea is CCC(NC(=O)NCC(C)CCO)c1cc(F)ccc1F.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is VEGVZZJBAAHRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-3-14(12-8-11(16)4-5-13(12)17)19-15(21)18-9-10(2)6-7-20/h4-5,8,10,14,20H,3,6-7,9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 300.35 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)propyl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111506835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).