1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea

C15H14FN3O — CID 110676420

IUPAC1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H14FN3O/c16-12-6-4-11(5-7-12)15(8-9-15)19-14(20)18-13-3-1-2-10-17-13/h1-7,10H,8-9H2,(H2,17,18,19,20)
InChIKeyVRPHKVNUFQMTSS-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.03
Rot. Bonds3

About 1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea

1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea (PubChem CID 110676420) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea
PubChem CID110676420
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H14FN3O/c16-12-6-4-11(5-7-12)15(8-9-15)19-14(20)18-13-3-1-2-10-17-13/h1-7,10H,8-9H2,(H2,17,18,19,20)
InChIKeyVRPHKVNUFQMTSS-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea
CID 111911114
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
(2R)-2-(4-fluorophenyl)-2-(pyridin-2-ylcarbamoylamino)acetamide
CID 100749906
1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea
CID 110490668
2-amino-N-[1-(4-fluorophenyl)cyclopropyl]benzamide
CID 110465658
N-[1-(4-fluorophenyl)cyclopropyl]-2-methylbenzamide
CID 110483009
N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide
CID 144598706
N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110444694
1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea
CID 126783772
1-carbamoyl-3-pyridin-2-ylurea
CID 564989
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea (CID 110676420) is 1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)NC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea?
The InChIKey is VRPHKVNUFQMTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-12-6-4-11(5-7-12)15(8-9-15)19-14(20)18-13-3-1-2-10-17-13/h1-7,10H,8-9H2,(H2,17,18,19,20).
What are the key properties of 1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea?
1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea has a molecular weight of 271.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclopropyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 110676420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).