2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide

C15H8Cl2FNO — CID 51330118

IUPAC2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
SMILESC#Cc1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H8Cl2FNO/c1-2-9-4-3-5-10(6-9)19-15(20)11-7-14(18)13(17)8-12(11)16/h1,3-8H,(H,19,20)
InChIKeyIYHUUYCCMZQCAL-UHFFFAOYSA-N
MW308.14 g/mol
LogP4.37
Rot. Bonds2

About 2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide

2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide (PubChem CID 51330118) has the molecular formula C15H8Cl2FNO and a molecular weight of 308.14 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
PubChem CID51330118
Molecular FormulaC15H8Cl2FNO
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
SMILESC#Cc1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H8Cl2FNO/c1-2-9-4-3-5-10(6-9)19-15(20)11-7-14(18)13(17)8-12(11)16/h1,3-8H,(H,19,20)
InChIKeyIYHUUYCCMZQCAL-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethynylphenyl)-3-fluoropyridine-4-carboxamide
CID 64955247
4-bromo-2-chloro-N-(3-ethynylphenyl)benzamide
CID 47278272
N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide
CID 141364165
5-amino-N-(3-ethynylphenyl)-2-fluorobenzamide
CID 61118264
2-chloro-N-(3-ethynylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347095
N-(3-ethynylphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532349
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
N-(3-ethynylphenyl)-2,3-dihydroxybenzamide
CID 114343731
2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 78783752
N-(3-ethynylphenyl)-2-iodobenzamide
CID 24676235
4-chloro-2,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 82771176

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide (CID 51330118) is 2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide is C#Cc1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide?
The InChIKey is IYHUUYCCMZQCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNO/c1-2-9-4-3-5-10(6-9)19-15(20)11-7-14(18)13(17)8-12(11)16/h1,3-8H,(H,19,20).
What are the key properties of 2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide?
2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide has a molecular weight of 308.14 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide is sourced from PubChem (CID 51330118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).