3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide

C12H16F2N2O — CID 62658425

IUPAC3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NCCNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-8(2)15-3-4-16-12(17)9-5-10(13)7-11(14)6-9/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyRFPJSAWIHOEKGQ-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.69
Rot. Bonds5

About 3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide

3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 62658425) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide
PubChem CID62658425
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NCCNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-8(2)15-3-4-16-12(17)9-5-10(13)7-11(14)6-9/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyRFPJSAWIHOEKGQ-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538601
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
3,5-difluoro-N-[3-(methylamino)propyl]benzamide
CID 43600831
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657874
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
4-[(3,5-difluorobenzoyl)amino]butanoic acid
CID 16769702
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549
N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
CID 55025954
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide (CID 62658425) is 3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide is CC(C)NCCNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is RFPJSAWIHOEKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(2)15-3-4-16-12(17)9-5-10(13)7-11(14)6-9/h5-8,15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide?
3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 242.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 62658425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).