N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide

C24H18ClFN2O2 — CID 166633429

IUPACN-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide
SMILESC#CC(=O)N(c1cccc(Cl)c1)C(C(=O)NCc1ccccc1F)c1ccccc1
InChIInChI=1S/C24H18ClFN2O2/c1-2-22(29)28(20-13-8-12-19(25)15-20)23(17-9-4-3-5-10-17)24(30)27-16-18-11-6-7-14-21(18)26/h1,3-15,23H,16H2,(H,27,30)
InChIKeyKPAIWIWAWGABLO-UHFFFAOYSA-N
MW420.87 g/mol
LogP4.50
Rot. Bonds6

About N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide

N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide (PubChem CID 166633429) has the molecular formula C24H18ClFN2O2 and a molecular weight of 420.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide
PubChem CID166633429
Molecular FormulaC24H18ClFN2O2
Molecular Weight420.87 g/mol
Exact Mass420.10
IUPAC NameN-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide
SMILESC#CC(=O)N(c1cccc(Cl)c1)C(C(=O)NCc1ccccc1F)c1ccccc1
InChIInChI=1S/C24H18ClFN2O2/c1-2-22(29)28(20-13-8-12-19(25)15-20)23(17-9-4-3-5-10-17)24(30)27-16-18-11-6-7-14-21(18)26/h1,3-15,23H,16H2,(H,27,30)
InChIKeyKPAIWIWAWGABLO-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-chlorophenyl)prop-2-ynamide
CID 166629519
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(3-chloro-2-fluorophenyl)prop-2-ynamide
CID 166630463
N-(3-aminophenyl)-N-[1-(4-aminophenyl)-2-(benzylamino)-2-oxoethyl]prop-2-ynamide
CID 166629964
N-[2-(benzylamino)-1-cyclopropyl-2-oxoethyl]-N-(3-chlorophenyl)prop-2-ynamide
CID 166631250
2-(3-chloro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 53282868
N-[1-(3-aminophenyl)-2-(benzylamino)-2-oxoethyl]-N-(3-chloro-2-fluorophenyl)prop-2-ynamide
CID 166630014
N-[1-(4-aminophenyl)-2-(benzylamino)-2-oxoethyl]-N-(3-chlorophenyl)-2-fluoroprop-2-enamide
CID 172709697
N-[2-(benzylamino)-1-(oxan-4-yl)-2-oxoethyl]-N-(3-chlorophenyl)prop-2-ynamide
CID 166632671
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(1-methylindazol-5-yl)prop-2-ynamide
CID 166635482
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 17068388
2-(2,6-dichloroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 108997690
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide?
The IUPAC name of N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide (CID 166633429) is N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide is C#CC(=O)N(c1cccc(Cl)c1)C(C(=O)NCc1ccccc1F)c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide?
The InChIKey is KPAIWIWAWGABLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2/c1-2-22(29)28(20-13-8-12-19(25)15-20)23(17-9-4-3-5-10-17)24(30)27-16-18-11-6-7-14-21(18)26/h1,3-15,23H,16H2,(H,27,30).
What are the key properties of N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide?
N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide has a molecular weight of 420.87 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide is sourced from PubChem (CID 166633429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).