5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide

C10H13FN2O2 — CID 43510918

IUPAC5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCCCO)c1
InChIInChI=1S/C10H13FN2O2/c11-9-3-2-7(12)6-8(9)10(15)13-4-1-5-14/h2-3,6,14H,1,4-5,12H2,(H,13,15)
InChIKeySWONEQZTQOCCEZ-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.52
Rot. Bonds4

About 5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide

5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide (PubChem CID 43510918) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
PubChem CID43510918
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCCCO)c1
InChIInChI=1S/C10H13FN2O2/c11-9-3-2-7(12)6-8(9)10(15)13-4-1-5-14/h2-3,6,14H,1,4-5,12H2,(H,13,15)
InChIKeySWONEQZTQOCCEZ-UHFFFAOYSA-N
XLogP0.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide 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

5-amino-N-butyl-2-fluorobenzamide
CID 43510823
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980674
5-amino-2-fluoro-N-(4-methylsulfanylbutyl)benzamide
CID 113487135
2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide
CID 107028407
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61238534
2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
CID 43808767
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
CID 106233330
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755659

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide (CID 43510918) is 5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide is Nc1ccc(F)c(C(=O)NCCCO)c1.
What is the InChIKey of 5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide?
The InChIKey is SWONEQZTQOCCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-9-3-2-7(12)6-8(9)10(15)13-4-1-5-14/h2-3,6,14H,1,4-5,12H2,(H,13,15).
What are the key properties of 5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide?
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide has a molecular weight of 212.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 43510918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).