4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide

C12H16FN3O2 — CID 113409457

IUPAC4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
SMILESCCNC(=O)CCNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H16FN3O2/c1-2-15-11(17)5-6-16-12(18)9-4-3-8(14)7-10(9)13/h3-4,7H,2,5-6,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyUFOQHOGWEMAMPP-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.66
Rot. Bonds5

About 4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide

4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide (PubChem CID 113409457) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
PubChem CID113409457
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
SMILESCCNC(=O)CCNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H16FN3O2/c1-2-15-11(17)5-6-16-12(18)9-4-3-8(14)7-10(9)13/h3-4,7H,2,5-6,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyUFOQHOGWEMAMPP-UHFFFAOYSA-N
XLogP0.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide
CID 113410640
4-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980672
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066
4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864
2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 103870021
4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033010
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide?
The IUPAC name of 4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide (CID 113409457) is 4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide is CCNC(=O)CCNC(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide?
The InChIKey is UFOQHOGWEMAMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-2-15-11(17)5-6-16-12(18)9-4-3-8(14)7-10(9)13/h3-4,7H,2,5-6,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide?
4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide has a molecular weight of 253.28 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide is sourced from PubChem (CID 113409457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).