5-fluoro-2-methyl-N-pent-4-ynylbenzamide

C13H14FNO — CID 103708979

IUPAC5-fluoro-2-methyl-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H14FNO/c1-3-4-5-8-15-13(16)12-9-11(14)7-6-10(12)2/h1,6-7,9H,4-5,8H2,2H3,(H,15,16)
InChIKeyOWXNPWIOMYTOOT-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.28
Rot. Bonds4

About 5-fluoro-2-methyl-N-pent-4-ynylbenzamide

5-fluoro-2-methyl-N-pent-4-ynylbenzamide (PubChem CID 103708979) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-pent-4-ynylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-pent-4-ynylbenzamide
PubChem CID103708979
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name5-fluoro-2-methyl-N-pent-4-ynylbenzamide
SMILESC#CCCCNC(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H14FNO/c1-3-4-5-8-15-13(16)12-9-11(14)7-6-10(12)2/h1,6-7,9H,4-5,8H2,2H3,(H,15,16)
InChIKeyOWXNPWIOMYTOOT-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-nitro-N-pent-4-ynylbenzamide
CID 113245104
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
CID 84594465
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
3,4-dimethyl-N-pent-4-ynylbenzamide
CID 103708908
N-ethyl-5-fluoro-2-methyl-N-prop-2-ynylbenzamide
CID 78971177
3-fluoro-N-hex-5-ynyl-4-methylbenzamide
CID 103757933
5-amino-N-hex-5-ynyl-2,4-dimethylbenzamide
CID 114158330
2,4,6-trimethyl-N-pent-4-ynylbenzamide
CID 103867023
2,6-dimethyl-N-pent-4-ynylbenzamide
CID 103714373

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-pent-4-ynylbenzamide?
The IUPAC name of 5-fluoro-2-methyl-N-pent-4-ynylbenzamide (CID 103708979) is 5-fluoro-2-methyl-N-pent-4-ynylbenzamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-pent-4-ynylbenzamide?
The canonical SMILES for 5-fluoro-2-methyl-N-pent-4-ynylbenzamide is C#CCCCNC(=O)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-2-methyl-N-pent-4-ynylbenzamide?
The InChIKey is OWXNPWIOMYTOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-3-4-5-8-15-13(16)12-9-11(14)7-6-10(12)2/h1,6-7,9H,4-5,8H2,2H3,(H,15,16).
What are the key properties of 5-fluoro-2-methyl-N-pent-4-ynylbenzamide?
5-fluoro-2-methyl-N-pent-4-ynylbenzamide has a molecular weight of 219.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-pent-4-ynylbenzamide is sourced from PubChem (CID 103708979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).