N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide

C16H11Cl2NO2 — CID 78843025

IUPACN-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H11Cl2NO2/c1-2-10-21-12-8-6-11(7-9-12)16(20)19-14-5-3-4-13(17)15(14)18/h1,3-9H,10H2,(H,19,20)
InChIKeyHDQKDTNBTHNTHV-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.26
Rot. Bonds4

About N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide

N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide (PubChem CID 78843025) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide
PubChem CID78843025
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC NameN-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H11Cl2NO2/c1-2-10-21-12-8-6-11(7-9-12)16(20)19-14-5-3-4-13(17)15(14)18/h1,3-9H,10H2,(H,19,20)
InChIKeyHDQKDTNBTHNTHV-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.26
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-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide
CID 12771069
N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide
CID 6471423
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
N-(2,3-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 135338189
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
4-(2-amino-2-oxoethyl)-N-(2,3-dichlorophenyl)benzamide
CID 14883992
N-(2,3-dichlorophenyl)-2-(4-iodophenoxy)acetamide
CID 55325965
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
N-[(2,3-dichlorophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937480
N-(2,3-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044378

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide (CID 78843025) is N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide is C#CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide?
The InChIKey is HDQKDTNBTHNTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c1-2-10-21-12-8-6-11(7-9-12)16(20)19-14-5-3-4-13(17)15(14)18/h1,3-9H,10H2,(H,19,20).
What are the key properties of N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide?
N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide has a molecular weight of 320.18 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 78843025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).