N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

C22H18ClNO5 — CID 26908303

IUPACN-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO5/c1-26-20-10-15(4-8-18(20)27-12-14-2-5-16(23)6-3-14)22(25)24-17-7-9-19-21(11-17)29-13-28-19/h2-11H,12-13H2,1H3,(H,24,25)
InChIKeyQDCKJKBMDUYNNF-UHFFFAOYSA-N
MW411.84 g/mol
LogP4.91
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (PubChem CID 26908303) has the molecular formula C22H18ClNO5 and a molecular weight of 411.84 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
PubChem CID26908303
Molecular FormulaC22H18ClNO5
Molecular Weight411.84 g/mol
Exact Mass411.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO5/c1-26-20-10-15(4-8-18(20)27-12-14-2-5-16(23)6-3-14)22(25)24-17-7-9-19-21(11-17)29-13-28-19/h2-11H,12-13H2,1H3,(H,24,25)
InChIKeyQDCKJKBMDUYNNF-UHFFFAOYSA-N
XLogP4.91
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3489384
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]-3,4-dimethoxybenzamide
CID 112989157
4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide
CID 60599216
4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide
CID 55959946
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27648546
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841
N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 775353

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (CID 26908303) is N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The InChIKey is QDCKJKBMDUYNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO5/c1-26-20-10-15(4-8-18(20)27-12-14-2-5-16(23)6-3-14)22(25)24-17-7-9-19-21(11-17)29-13-28-19/h2-11H,12-13H2,1H3,(H,24,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide has a molecular weight of 411.84 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 26908303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).