N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide

C18H16ClNO3 — CID 111477067

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClNO3/c1-2-11-23-16-9-5-14(6-10-16)18(22)20-12-17(21)13-3-7-15(19)8-4-13/h1,3-10,17,21H,11-12H2,(H,20,22)
InChIKeyCRHUGAQVGJHDAD-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide (PubChem CID 111477067) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide
PubChem CID111477067
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClNO3/c1-2-11-23-16-9-5-14(6-10-16)18(22)20-12-17(21)13-3-7-15(19)8-4-13/h1,3-10,17,21H,11-12H2,(H,20,22)
InChIKeyCRHUGAQVGJHDAD-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
CID 110885502
N-(4-hydroxy-2,2-dimethylpentyl)-4-prop-2-ynoxybenzamide
CID 111479961
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 110888066
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide (CID 111477067) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide is C#CCOc1ccc(C(=O)NCC(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide?
The InChIKey is CRHUGAQVGJHDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-2-11-23-16-9-5-14(6-10-16)18(22)20-12-17(21)13-3-7-15(19)8-4-13/h1,3-10,17,21H,11-12H2,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide has a molecular weight of 329.78 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 111477067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).