1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea

C15H16FN3O — CID 110469652

IUPAC1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea
SMILESO=C(NCc1ccc[nH]1)NC1(c2ccccc2F)CC1
InChIInChI=1S/C15H16FN3O/c16-13-6-2-1-5-12(13)15(7-8-15)19-14(20)18-10-11-4-3-9-17-11/h1-6,9,17H,7-8,10H2,(H2,18,19,20)
InChIKeyJVRDEBYFEXULLF-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.64
Rot. Bonds4

About 1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea

1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea (PubChem CID 110469652) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea
PubChem CID110469652
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea
SMILESO=C(NCc1ccc[nH]1)NC1(c2ccccc2F)CC1
InChIInChI=1S/C15H16FN3O/c16-13-6-2-1-5-12(13)15(7-8-15)19-14(20)18-10-11-4-3-9-17-11/h1-6,9,17H,7-8,10H2,(H2,18,19,20)
InChIKeyJVRDEBYFEXULLF-UHFFFAOYSA-N
XLogP2.64
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-aminopropyl)-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110490666
1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110469627
1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea
CID 110469820
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459
N-[1-(2-fluorophenyl)cyclopropyl]-4-hydroxybutanamide
CID 110480254
1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea
CID 110469859
1-[1-(2-fluorophenyl)cyclopropyl]-3-pyridin-4-ylurea
CID 110469651
4-[[1-(2-fluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110465781
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 110481000
7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
CID 119796456

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea?
The IUPAC name of 1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea (CID 110469652) is 1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea is O=C(NCc1ccc[nH]1)NC1(c2ccccc2F)CC1.
What is the InChIKey of 1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea?
The InChIKey is JVRDEBYFEXULLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-13-6-2-1-5-12(13)15(7-8-15)19-14(20)18-10-11-4-3-9-17-11/h1-6,9,17H,7-8,10H2,(H2,18,19,20).
What are the key properties of 1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea?
1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea has a molecular weight of 273.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea is sourced from PubChem (CID 110469652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).