1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea

C18H14F2N2O2 — CID 11724001

IUPAC1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(NCc1ccc(F)c(F)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C18H14F2N2O2/c19-15-7-4-11(8-16(15)20)10-21-18(24)22-17-3-1-2-12-5-6-13(23)9-14(12)17/h1-9,23H,10H2,(H2,21,22,24)
InChIKeyVKVZYBVXAPIOHR-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.15
Rot. Bonds3

About 1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea

1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea (PubChem CID 11724001) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea
PubChem CID11724001
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(NCc1ccc(F)c(F)c1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C18H14F2N2O2/c19-15-7-4-11(8-16(15)20)10-21-18(24)22-17-3-1-2-12-5-6-13(23)9-14(12)17/h1-9,23H,10H2,(H2,21,22,24)
InChIKeyVKVZYBVXAPIOHR-UHFFFAOYSA-N
XLogP4.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-Dihydro-1H-perimidin-2-yl)-phenol
CID 256659
1-Acetamido-7-naphthol
CID 80946
N-(7-hydroxy-1-naphthyl)-N'-[3-(methylthio)phenyl]urea
CID 3684843
N-(5-Hydroxy-1-naphthalenyl)-N'-phenylurea
CID 4432275
Diarylurea deriv. 1a
CID 5330587
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol
CID 761631
4-(Benzylamino)-1-naphthol
CID 17937479
1-(4-Fluoro-3-nitrophenyl)-3-(5-hydroxy-1-naphthyl)urea
CID 3576484
1-Benzyl-3-(7-hydroxynaphthalen-1-yl)urea
CID 5330591
3-(5-Chloro-2-methylphenyl)-1-(7-hydroxynaphthalen-1-yl)urea
CID 307545
1-(7-Hydroxy-naphthalen-1-yl)-3-(4-trifluoromethyl-benzyl)-urea
CID 10089889
1-(7-Hydroxy-naphthalen-1-yl)-3-(4-trifluoromethoxy-benzyl)-urea
CID 10090920

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea (CID 11724001) is 1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea is O=C(NCc1ccc(F)c(F)c1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea?
The InChIKey is VKVZYBVXAPIOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c19-15-7-4-11(8-16(15)20)10-21-18(24)22-17-3-1-2-12-5-6-13(23)9-14(12)17/h1-9,23H,10H2,(H2,21,22,24).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea?
1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea has a molecular weight of 328.32 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-(7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 11724001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).