1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea

C16H20FN3O2 — CID 75374781

IUPAC1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea
SMILESCC(COc1ccccc1F)NC(=O)NCc1cccn1C
InChIInChI=1S/C16H20FN3O2/c1-12(11-22-15-8-4-3-7-14(15)17)19-16(21)18-10-13-6-5-9-20(13)2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,21)
InChIKeyBBNBGOTYFQUDBM-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.43
Rot. Bonds6

About 1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea

1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea (PubChem CID 75374781) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea
PubChem CID75374781
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea
SMILESCC(COc1ccccc1F)NC(=O)NCc1cccn1C
InChIInChI=1S/C16H20FN3O2/c1-12(11-22-15-8-4-3-7-14(15)17)19-16(21)18-10-13-6-5-9-20(13)2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,21)
InChIKeyBBNBGOTYFQUDBM-UHFFFAOYSA-N
XLogP2.43
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 95159960
1-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 96548941
1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702
1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 94594223
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553
N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577814
1-[(2-methylpyrimidin-4-yl)methyl]-3-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 96518467
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid
CID 167878771
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438438
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea?
The IUPAC name of 1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea (CID 75374781) is 1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea?
The canonical SMILES for 1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea is CC(COc1ccccc1F)NC(=O)NCc1cccn1C.
What is the InChIKey of 1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea?
The InChIKey is BBNBGOTYFQUDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-12(11-22-15-8-4-3-7-14(15)17)19-16(21)18-10-13-6-5-9-20(13)2/h3-9,12H,10-11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea?
1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea has a molecular weight of 305.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea is sourced from PubChem (CID 75374781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).