2,3-difluoro-N-pentylbenzamide

C12H15F2NO — CID 62649821

IUPAC2,3-difluoro-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H15F2NO/c1-2-3-4-8-15-12(16)9-6-5-7-10(13)11(9)14/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyMFZRCPJVNQMNIK-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.88
Rot. Bonds5

About 2,3-difluoro-N-pentylbenzamide

2,3-difluoro-N-pentylbenzamide (PubChem CID 62649821) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2,3-difluoro-N-pentylbenzamide.

Molecular Properties

Compound Name2,3-difluoro-N-pentylbenzamide
PubChem CID62649821
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2,3-difluoro-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H15F2NO/c1-2-3-4-8-15-12(16)9-6-5-7-10(13)11(9)14/h5-7H,2-4,8H2,1H3,(H,15,16)
InChIKeyMFZRCPJVNQMNIK-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725
3-chloro-2-fluoro-N-tetradecylbenzamide
CID 91722769
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2,3-dimethyl-N-octadecylbenzamide
CID 174462915

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-pentylbenzamide?
The IUPAC name of 2,3-difluoro-N-pentylbenzamide (CID 62649821) is 2,3-difluoro-N-pentylbenzamide.
What is the SMILES notation for 2,3-difluoro-N-pentylbenzamide?
The canonical SMILES for 2,3-difluoro-N-pentylbenzamide is CCCCCNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-pentylbenzamide?
The InChIKey is MFZRCPJVNQMNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-2-3-4-8-15-12(16)9-6-5-7-10(13)11(9)14/h5-7H,2-4,8H2,1H3,(H,15,16).
What are the key properties of 2,3-difluoro-N-pentylbenzamide?
2,3-difluoro-N-pentylbenzamide has a molecular weight of 227.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-pentylbenzamide is sourced from PubChem (CID 62649821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).