3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide

C22H23ClN2O4 — CID 76869524

IUPAC3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(C=CC(=O)Nc2cc(Cl)ccc2OCC2CCCO2)cc1
InChIInChI=1S/C22H23ClN2O4/c1-15(26)24-18-8-4-16(5-9-18)6-11-22(27)25-20-13-17(23)7-10-21(20)29-14-19-3-2-12-28-19/h4-11,13,19H,2-3,12,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyYFFXQZFHSFIYBU-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.51
Rot. Bonds7

About 3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide

3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 76869524) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
PubChem CID76869524
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(C=CC(=O)Nc2cc(Cl)ccc2OCC2CCCO2)cc1
InChIInChI=1S/C22H23ClN2O4/c1-15(26)24-18-8-4-16(5-9-18)6-11-22(27)25-20-13-17(23)7-10-21(20)29-14-19-3-2-12-28-19/h4-11,13,19H,2-3,12,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyYFFXQZFHSFIYBU-UHFFFAOYSA-N
XLogP4.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide 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

(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 60576018
(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 60576211
(E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17195491
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 76869519
3-(3,4-dimethoxyphenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 4957942
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide
CID 120589868
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
(E)-3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 134048019
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119743221

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide (CID 76869524) is 3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide is CC(=O)Nc1ccc(C=CC(=O)Nc2cc(Cl)ccc2OCC2CCCO2)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is YFFXQZFHSFIYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-15(26)24-18-8-4-16(5-9-18)6-11-22(27)25-20-13-17(23)7-10-21(20)29-14-19-3-2-12-28-19/h4-11,13,19H,2-3,12,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide?
3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 414.89 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 76869524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).