3-chloro-2-fluoro-N-tetradecylbenzamide

C21H33ClFNO — CID 91722769

IUPAC3-chloro-2-fluoro-N-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C21H33ClFNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-21(25)18-15-14-16-19(22)20(18)23/h14-16H,2-13,17H2,1H3,(H,24,25)
InChIKeyGSHQDUXVHZMJFI-UHFFFAOYSA-N
MW369.95 g/mol
LogP6.91
Rot. Bonds14

About 3-chloro-2-fluoro-N-tetradecylbenzamide

3-chloro-2-fluoro-N-tetradecylbenzamide (PubChem CID 91722769) has the molecular formula C21H33ClFNO and a molecular weight of 369.95 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-tetradecylbenzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-tetradecylbenzamide
PubChem CID91722769
Molecular FormulaC21H33ClFNO
Molecular Weight369.95 g/mol
Exact Mass369.22
IUPAC Name3-chloro-2-fluoro-N-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C21H33ClFNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-21(25)18-15-14-16-19(22)20(18)23/h14-16H,2-13,17H2,1H3,(H,24,25)
InChIKeyGSHQDUXVHZMJFI-UHFFFAOYSA-N
XLogP6.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.95
LogP ≤ 56.91
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

3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725
2-chloro-N-undecylbenzamide
CID 3373978
2,3-difluoro-N-pentylbenzamide
CID 62649821
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
CID 106846240
ethyl 4-[(3-chloro-2-fluorobenzoyl)amino]butanoate
CID 80979995
N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide
CID 81267427
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
N-dodecylnaphthalene-1-carboxamide
CID 4278758

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-tetradecylbenzamide?
The IUPAC name of 3-chloro-2-fluoro-N-tetradecylbenzamide (CID 91722769) is 3-chloro-2-fluoro-N-tetradecylbenzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-tetradecylbenzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-tetradecylbenzamide is CCCCCCCCCCCCCCNC(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-tetradecylbenzamide?
The InChIKey is GSHQDUXVHZMJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClFNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-21(25)18-15-14-16-19(22)20(18)23/h14-16H,2-13,17H2,1H3,(H,24,25).
What are the key properties of 3-chloro-2-fluoro-N-tetradecylbenzamide?
3-chloro-2-fluoro-N-tetradecylbenzamide has a molecular weight of 369.95 g/mol, XLogP of 6.91, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-tetradecylbenzamide is sourced from PubChem (CID 91722769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).