N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide

C15H9ClFNO — CID 141364165

IUPACN-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide
SMILESC#Cc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H9ClFNO/c1-2-10-4-3-5-11(8-10)15(19)18-12-6-7-14(17)13(16)9-12/h1,3-9H,(H,18,19)
InChIKeyVMJONXCZBDAWJQ-UHFFFAOYSA-N
MW273.69 g/mol
LogP3.71
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide

N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide (PubChem CID 141364165) has the molecular formula C15H9ClFNO and a molecular weight of 273.69 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide
PubChem CID141364165
Molecular FormulaC15H9ClFNO
Molecular Weight273.69 g/mol
Exact Mass273.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide
SMILESC#Cc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H9ClFNO/c1-2-10-4-3-5-11(8-10)15(19)18-12-6-7-14(17)13(16)9-12/h1,3-9H,(H,18,19)
InChIKeyVMJONXCZBDAWJQ-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057416
2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
CID 51330118
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
3-(azepane-1-carbonyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 109056705
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166630
2-chloro-N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 26167249
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide (CID 141364165) is N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide is C#Cc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide?
The InChIKey is VMJONXCZBDAWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO/c1-2-10-4-3-5-11(8-10)15(19)18-12-6-7-14(17)13(16)9-12/h1,3-9H,(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide?
N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide has a molecular weight of 273.69 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide is sourced from PubChem (CID 141364165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).