1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea

C11H15FN4O2 — CID 76939353

IUPAC1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(F)c(C(N)=NO)c1
InChIInChI=1S/C11H15FN4O2/c1-2-5-14-11(17)15-7-3-4-9(12)8(6-7)10(13)16-18/h3-4,6,18H,2,5H2,1H3,(H2,13,16)(H2,14,15,17)
InChIKeyFDFLFDTXWXETTM-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.45
Rot. Bonds4

About 1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea

1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea (PubChem CID 76939353) has the molecular formula C11H15FN4O2 and a molecular weight of 254.27 g/mol. Its IUPAC name is 1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea
PubChem CID76939353
Molecular FormulaC11H15FN4O2
Molecular Weight254.27 g/mol
Exact Mass254.12
IUPAC Name1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(F)c(C(N)=NO)c1
InChIInChI=1S/C11H15FN4O2/c1-2-5-14-11(17)15-7-3-4-9(12)8(6-7)10(13)16-18/h3-4,6,18H,2,5H2,1H3,(H2,13,16)(H2,14,15,17)
InChIKeyFDFLFDTXWXETTM-UHFFFAOYSA-N
XLogP1.45
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-(propylcarbamoylamino)benzamide
CID 47203145
2-ethyl-N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]butanamide
CID 55057495
N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylpropanamide
CID 62317574
propan-2-yl N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]carbamate
CID 62315641
4,4,4-trifluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]butanamide
CID 77099519
3-ethyl-N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 79975885
4-fluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76939474
5-(3-aminopropylcarbamoylamino)-2-fluorobenzoic acid
CID 62273492
2,5-dibromo-N-[4-fluoro-3-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-3-carboxamide
CID 107965169
5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
CID 61187824
2-bromo-5-(propylcarbamoylamino)benzoic acid
CID 115295944
N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-2-thiophen-2-ylacetamide
CID 76939500

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea?
The IUPAC name of 1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea (CID 76939353) is 1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea.
What is the SMILES notation for 1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea?
The canonical SMILES for 1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(F)c(C(N)=NO)c1.
What is the InChIKey of 1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea?
The InChIKey is FDFLFDTXWXETTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-2-5-14-11(17)15-7-3-4-9(12)8(6-7)10(13)16-18/h3-4,6,18H,2,5H2,1H3,(H2,13,16)(H2,14,15,17).
What are the key properties of 1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea?
1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea has a molecular weight of 254.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea is sourced from PubChem (CID 76939353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).