4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide

C12H16ClFN2O2 — CID 107990807

IUPAC4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
SMILESCC(O)CNCCNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2O2/c1-8(17)7-15-4-5-16-12(18)9-2-3-10(13)11(14)6-9/h2-3,6,8,15,17H,4-5,7H2,1H3,(H,16,18)
InChIKeyASVWJZCVEXDUSE-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.18
Rot. Bonds6

About 4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide

4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide (PubChem CID 107990807) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
PubChem CID107990807
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
SMILESCC(O)CNCCNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2O2/c1-8(17)7-15-4-5-16-12(18)9-2-3-10(13)11(14)6-9/h2-3,6,8,15,17H,4-5,7H2,1H3,(H,16,18)
InChIKeyASVWJZCVEXDUSE-UHFFFAOYSA-N
XLogP1.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
4-chloro-N-[2-(2-hydroxypropylamino)ethyl]-3-methylbenzamide
CID 104593499
4-bromo-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430397
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 107990784
3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430430
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
CID 103876454
4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103876642
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103876622
3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide
CID 104593481

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide (CID 107990807) is 4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide is CC(O)CNCCNC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
The InChIKey is ASVWJZCVEXDUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-8(17)7-15-4-5-16-12(18)9-2-3-10(13)11(14)6-9/h2-3,6,8,15,17H,4-5,7H2,1H3,(H,16,18).
What are the key properties of 4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide?
4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide has a molecular weight of 274.72 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide is sourced from PubChem (CID 107990807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).