N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide

C19H21FN2O3 — CID 46451984

IUPACN-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCCCOc1ccccc1F
InChIInChI=1S/C19H21FN2O3/c20-16-9-4-5-10-17(16)25-14-6-12-21-18(23)11-13-22-19(24)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,21,23)(H,22,24)
InChIKeyREPBYWXATLLAAU-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.53
Rot. Bonds9

About N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide

N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide (PubChem CID 46451984) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
PubChem CID46451984
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCCCOc1ccccc1F
InChIInChI=1S/C19H21FN2O3/c20-16-9-4-5-10-17(16)25-14-6-12-21-18(23)11-13-22-19(24)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,21,23)(H,22,24)
InChIKeyREPBYWXATLLAAU-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 24552546
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide
CID 131921415
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
CID 110466152
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 18120342
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42572042

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide (CID 46451984) is N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)NCCCOc1ccccc1F.
What is the InChIKey of N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide?
The InChIKey is REPBYWXATLLAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-16-9-4-5-10-17(16)25-14-6-12-21-18(23)11-13-22-19(24)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide?
N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 46451984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).