2-fluoro-4-methoxy-N-pent-3-ynylbenzamide

C13H14FNO2 — CID 103951557

IUPAC2-fluoro-4-methoxy-N-pent-3-ynylbenzamide
SMILESCC#CCCNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C13H14FNO2/c1-3-4-5-8-15-13(16)11-7-6-10(17-2)9-12(11)14/h6-7,9H,5,8H2,1-2H3,(H,15,16)
InChIKeyHIQBCCMNVAKZGO-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.98
Rot. Bonds4

About 2-fluoro-4-methoxy-N-pent-3-ynylbenzamide

2-fluoro-4-methoxy-N-pent-3-ynylbenzamide (PubChem CID 103951557) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-pent-3-ynylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-pent-3-ynylbenzamide
PubChem CID103951557
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name2-fluoro-4-methoxy-N-pent-3-ynylbenzamide
SMILESCC#CCCNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C13H14FNO2/c1-3-4-5-8-15-13(16)11-7-6-10(17-2)9-12(11)14/h6-7,9H,5,8H2,1-2H3,(H,15,16)
InChIKeyHIQBCCMNVAKZGO-UHFFFAOYSA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606
2-amino-4-methoxy-N-pent-3-ynylbenzamide
CID 116644060
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
2,5-difluoro-N-pent-3-ynylbenzamide
CID 115977378
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 86921725
2-(4-methoxyphenyl)-N-pent-3-ynylacetamide
CID 115977208
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 86920882
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-pent-3-ynylbenzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-pent-3-ynylbenzamide (CID 103951557) is 2-fluoro-4-methoxy-N-pent-3-ynylbenzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-pent-3-ynylbenzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-pent-3-ynylbenzamide is CC#CCCNC(=O)c1ccc(OC)cc1F.
What is the InChIKey of 2-fluoro-4-methoxy-N-pent-3-ynylbenzamide?
The InChIKey is HIQBCCMNVAKZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-3-4-5-8-15-13(16)11-7-6-10(17-2)9-12(11)14/h6-7,9H,5,8H2,1-2H3,(H,15,16).
What are the key properties of 2-fluoro-4-methoxy-N-pent-3-ynylbenzamide?
2-fluoro-4-methoxy-N-pent-3-ynylbenzamide has a molecular weight of 235.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-pent-3-ynylbenzamide is sourced from PubChem (CID 103951557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).