N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide

C12H16FN3O2 — CID 119299559

IUPACN-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
SMILESC[C@@H](N)C(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FN3O2/c1-8(14)11(17)15-6-7-16-12(18)9-2-4-10(13)5-3-9/h2-5,8H,6-7,14H2,1H3,(H,15,17)(H,16,18)/t8-/m1/s1
InChIKeyUGLZBAXLMSARIJ-MRVPVSSYSA-N
MW253.28 g/mol
LogP0.02
Rot. Bonds5

About N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide

N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide (PubChem CID 119299559) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
PubChem CID119299559
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
SMILESC[C@@H](N)C(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FN3O2/c1-8(14)11(17)15-6-7-16-12(18)9-2-4-10(13)5-3-9/h2-5,8H,6-7,14H2,1H3,(H,15,17)(H,16,18)/t8-/m1/s1
InChIKeyUGLZBAXLMSARIJ-MRVPVSSYSA-N
XLogP0.02
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 ≤ 50.02
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

N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]-4-bromobenzamide
CID 119299513
N-[2-[[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]amino]ethyl]-4-fluorobenzamide
CID 162629945
4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide
CID 60577670
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-(2-aminooxyethyl)-4-fluorobenzamide
CID 39239976
N-[2-(butan-2-ylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 47386650
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119299574
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate
CID 108570849
N-[2-(3-aminopropanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299548

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide (CID 119299559) is N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide is C[C@@H](N)C(=O)NCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide?
The InChIKey is UGLZBAXLMSARIJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-8(14)11(17)15-6-7-16-12(18)9-2-4-10(13)5-3-9/h2-5,8H,6-7,14H2,1H3,(H,15,17)(H,16,18)/t8-/m1/s1.
What are the key properties of N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide?
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide has a molecular weight of 253.28 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 119299559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).