3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide

C23H20ClNO4 — CID 133250733

IUPAC3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
SMILESO=C(NCC1COc2ccccc2O1)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C23H20ClNO4/c24-20-9-2-1-6-17(20)14-27-18-8-5-7-16(12-18)23(26)25-13-19-15-28-21-10-3-4-11-22(21)29-19/h1-12,19H,13-15H2,(H,25,26)
InChIKeyDJFDWHYPOVXVPN-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.49
Rot. Bonds6

About 3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide

3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide (PubChem CID 133250733) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
PubChem CID133250733
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
SMILESO=C(NCC1COc2ccccc2O1)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C23H20ClNO4/c24-20-9-2-1-6-17(20)14-27-18-8-5-7-16(12-18)23(26)25-13-19-15-28-21-10-3-4-11-22(21)29-19/h1-12,19H,13-15H2,(H,25,26)
InChIKeyDJFDWHYPOVXVPN-UHFFFAOYSA-N
XLogP4.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide 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

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbenzamide
CID 7758589
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide
CID 42908439
3,5-dichloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 716345
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-iodobenzamide
CID 55684888
3-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethoxybenzamide
CID 100583600
2-(3-acetylphenoxy)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 7758419
3-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,5-dimethoxybenzamide
CID 8759633
3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 30155589
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 845157
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-diethoxybenzamide
CID 8872749

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide (CID 133250733) is 3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide is O=C(NCC1COc2ccccc2O1)c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
The InChIKey is DJFDWHYPOVXVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO4/c24-20-9-2-1-6-17(20)14-27-18-8-5-7-16(12-18)23(26)25-13-19-15-28-21-10-3-4-11-22(21)29-19/h1-12,19H,13-15H2,(H,25,26).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide has a molecular weight of 409.87 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide is sourced from PubChem (CID 133250733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).