N-decyl-2-fluoro-3-methylbenzamide

C18H28FNO — CID 81479719

IUPACN-decyl-2-fluoro-3-methylbenzamide
SMILESCCCCCCCCCCNC(=O)c1cccc(C)c1F
InChIInChI=1S/C18H28FNO/c1-3-4-5-6-7-8-9-10-14-20-18(21)16-13-11-12-15(2)17(16)19/h11-13H,3-10,14H2,1-2H3,(H,20,21)
InChIKeyKZZKFSMQNSUNNY-UHFFFAOYSA-N
MW293.43 g/mol
LogP5.00
Rot. Bonds10

About N-decyl-2-fluoro-3-methylbenzamide

N-decyl-2-fluoro-3-methylbenzamide (PubChem CID 81479719) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-decyl-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-decyl-2-fluoro-3-methylbenzamide
PubChem CID81479719
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-decyl-2-fluoro-3-methylbenzamide
SMILESCCCCCCCCCCNC(=O)c1cccc(C)c1F
InChIInChI=1S/C18H28FNO/c1-3-4-5-6-7-8-9-10-14-20-18(21)16-13-11-12-15(2)17(16)19/h11-13H,3-10,14H2,1-2H3,(H,20,21)
InChIKeyKZZKFSMQNSUNNY-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.43
LogP ≤ 55.00
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

2,3-difluoro-N-pentylbenzamide
CID 62649821
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
N-hexyl-2-methylbenzamide
CID 3017102
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725
3-chloro-2-fluoro-N-tetradecylbenzamide
CID 91722769
2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
CID 103764860
N-hexyl-3-methyl-2-nitrobenzamide
CID 4603212
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572

Frequently Asked Questions

What is the IUPAC name of N-decyl-2-fluoro-3-methylbenzamide?
The IUPAC name of N-decyl-2-fluoro-3-methylbenzamide (CID 81479719) is N-decyl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-decyl-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-decyl-2-fluoro-3-methylbenzamide is CCCCCCCCCCNC(=O)c1cccc(C)c1F.
What is the InChIKey of N-decyl-2-fluoro-3-methylbenzamide?
The InChIKey is KZZKFSMQNSUNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-4-5-6-7-8-9-10-14-20-18(21)16-13-11-12-15(2)17(16)19/h11-13H,3-10,14H2,1-2H3,(H,20,21).
What are the key properties of N-decyl-2-fluoro-3-methylbenzamide?
N-decyl-2-fluoro-3-methylbenzamide has a molecular weight of 293.43 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81479719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).