1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea

C14H17FN2O2 — CID 54923015

IUPAC1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(C#CCCO)cc1F
InChIInChI=1S/C14H17FN2O2/c1-2-8-16-14(19)17-13-7-6-11(10-12(13)15)5-3-4-9-18/h6-7,10,18H,2,4,8-9H2,1H3,(H2,16,17,19)
InChIKeyJUTZQQIUSOBDCG-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.09
Rot. Bonds4

About 1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea

1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea (PubChem CID 54923015) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea
PubChem CID54923015
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(C#CCCO)cc1F
InChIInChI=1S/C14H17FN2O2/c1-2-8-16-14(19)17-13-7-6-11(10-12(13)15)5-3-4-9-18/h6-7,10,18H,2,4,8-9H2,1H3,(H2,16,17,19)
InChIKeyJUTZQQIUSOBDCG-UHFFFAOYSA-N
XLogP2.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60803011
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
CID 60804230
1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
CID 60815059
2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide
CID 83148694
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-methylsulfanylpropanamide
CID 60804946
N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60817076
1-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-propylurea
CID 81287127
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802676
1-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-propylurea
CID 54922681
1-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-propylurea
CID 63333834
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62199009
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816257

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea?
The IUPAC name of 1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea (CID 54923015) is 1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea.
What is the SMILES notation for 1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea?
The canonical SMILES for 1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(C#CCCO)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea?
The InChIKey is JUTZQQIUSOBDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-8-16-14(19)17-13-7-6-11(10-12(13)15)5-3-4-9-18/h6-7,10,18H,2,4,8-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea?
1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea has a molecular weight of 264.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea is sourced from PubChem (CID 54923015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).