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

C15H18FN3O — CID 110469820

IUPAC1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea
SMILESCC(C)(NC(=O)NCc1ccc[nH]1)c1ccccc1F
InChIInChI=1S/C15H18FN3O/c1-15(2,12-7-3-4-8-13(12)16)19-14(20)18-10-11-6-5-9-17-11/h3-9,17H,10H2,1-2H3,(H2,18,19,20)
InChIKeyDGEKEVXEKAUKHX-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.89
Rot. Bonds4

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

1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea (PubChem CID 110469820) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea
PubChem CID110469820
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea
SMILESCC(C)(NC(=O)NCc1ccc[nH]1)c1ccccc1F
InChIInChI=1S/C15H18FN3O/c1-15(2,12-7-3-4-8-13(12)16)19-14(20)18-10-11-6-5-9-17-11/h3-9,17H,10H2,1-2H3,(H2,18,19,20)
InChIKeyDGEKEVXEKAUKHX-UHFFFAOYSA-N
XLogP2.89
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea
CID 110469779
1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea
CID 110469652
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N-[2-(2-fluorophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460359
2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 110488062
N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110441926
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110445664
N-[2-(2-fluorophenyl)propan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 110446497
2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide
CID 110441991

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea (CID 110469820) is 1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea is CC(C)(NC(=O)NCc1ccc[nH]1)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea?
The InChIKey is DGEKEVXEKAUKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-15(2,12-7-3-4-8-13(12)16)19-14(20)18-10-11-6-5-9-17-11/h3-9,17H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea?
1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea has a molecular weight of 275.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea is sourced from PubChem (CID 110469820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).