4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide

C15H22FN3O2 — CID 60577670

IUPAC4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide
SMILESCC(C)C(C)NC(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O2/c1-10(2)11(3)19-15(21)18-9-8-17-14(20)12-4-6-13(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)(H2,18,19,21)
InChIKeyNMVVIBHXVSCUSZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.90
Rot. Bonds6

About 4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide

4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide (PubChem CID 60577670) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide
PubChem CID60577670
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide
SMILESCC(C)C(C)NC(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O2/c1-10(2)11(3)19-15(21)18-9-8-17-14(20)12-4-6-13(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)(H2,18,19,21)
InChIKeyNMVVIBHXVSCUSZ-UHFFFAOYSA-N
XLogP1.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butan-2-ylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 47386650
N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]ethyl]-4-fluorobenzamide
CID 94657166
1-[(4-fluorobenzoyl)amino]-3-(3-methylbutan-2-yl)urea
CID 47159837
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide
CID 60577844
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
CID 110893315
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
4-fluoro-N-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]carbamoylamino]ethyl]benzamide
CID 126436861
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
3-fluoro-4-methyl-N-[2-(propan-2-ylcarbamoylamino)ethyl]benzamide
CID 36506645
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide (CID 60577670) is 4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide is CC(C)C(C)NC(=O)NCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide?
The InChIKey is NMVVIBHXVSCUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10(2)11(3)19-15(21)18-9-8-17-14(20)12-4-6-13(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,20)(H2,18,19,21).
What are the key properties of 4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide?
4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide has a molecular weight of 295.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide is sourced from PubChem (CID 60577670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).