N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide

C16H12Cl2N2O — CID 31418197

IUPACN-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide
SMILESC#Cc1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c1-2-11-5-3-6-12(9-11)19-10-15(21)20-14-8-4-7-13(17)16(14)18/h1,3-9,19H,10H2,(H,20,21)
InChIKeyPOUPYJNTLBTGAG-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.03
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide

N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide (PubChem CID 31418197) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide
PubChem CID31418197
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC NameN-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide
SMILESC#Cc1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c1-2-11-5-3-6-12(9-11)19-10-15(21)20-14-8-4-7-13(17)16(14)18/h1,3-9,19H,10H2,(H,20,21)
InChIKeyPOUPYJNTLBTGAG-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
2-(4-chloroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 26417216
methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 34067227
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
N-(2,3-dichlorophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100051
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
2-(3-ethynylanilino)-N-(4-methoxyphenyl)acetamide
CID 28564126
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54840911
N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109010323
2-acetamido-N-(3-ethynylphenyl)acetamide
CID 47147171
3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide
CID 109038091
N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109010402

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide (CID 31418197) is N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide is C#Cc1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide?
The InChIKey is POUPYJNTLBTGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-2-11-5-3-6-12(9-11)19-10-15(21)20-14-8-4-7-13(17)16(14)18/h1,3-9,19H,10H2,(H,20,21).
What are the key properties of N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide?
N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide has a molecular weight of 319.19 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(3-ethynylanilino)acetamide is sourced from PubChem (CID 31418197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).