1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea

C14H12F2N2O3 — CID 99787005

IUPAC1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea
SMILESCOc1c(F)cc(NC(=O)Nc2ccc(O)cc2)cc1F
InChIInChI=1S/C14H12F2N2O3/c1-21-13-11(15)6-9(7-12(13)16)18-14(20)17-8-2-4-10(19)5-3-8/h2-7,19H,1H3,(H2,17,18,20)
InChIKeyKHQMPAFSYMZHKC-UHFFFAOYSA-N
MW294.26 g/mol
LogP3.32
Rot. Bonds3

About 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea

1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea (PubChem CID 99787005) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea
PubChem CID99787005
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea
SMILESCOc1c(F)cc(NC(=O)Nc2ccc(O)cc2)cc1F
InChIInChI=1S/C14H12F2N2O3/c1-21-13-11(15)6-9(7-12(13)16)18-14(20)17-8-2-4-10(19)5-3-8/h2-7,19H,1H3,(H2,17,18,20)
InChIKeyKHQMPAFSYMZHKC-UHFFFAOYSA-N
XLogP3.32
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-3-(4-hydroxyphenyl)urea
CID 99787019
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335624
1-(3,5-difluoro-4-methoxyphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754716
(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119290623
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea
CID 60543351
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473970
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
CID 119290632
1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 87035526
5-chloro-N-(3,5-difluoro-4-methoxyphenyl)furan-2-carboxamide
CID 87031550

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea?
The IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea (CID 99787005) is 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea.
What is the SMILES notation for 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea?
The canonical SMILES for 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea is COc1c(F)cc(NC(=O)Nc2ccc(O)cc2)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea?
The InChIKey is KHQMPAFSYMZHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-21-13-11(15)6-9(7-12(13)16)18-14(20)17-8-2-4-10(19)5-3-8/h2-7,19H,1H3,(H2,17,18,20).
What are the key properties of 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea?
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea has a molecular weight of 294.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea is sourced from PubChem (CID 99787005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).