N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide

C21H24ClNO5 — CID 55460598

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)ccc1OCCC(C)C
InChIInChI=1S/C21H24ClNO5/c1-13(2)6-7-26-17-5-4-14(10-18(17)25-3)21(24)23-16-12-20-19(11-15(16)22)27-8-9-28-20/h4-5,10-13H,6-9H2,1-3H3,(H,23,24)
InChIKeyFDGFRHDPXZWALR-UHFFFAOYSA-N
MW405.88 g/mol
LogP4.80
Rot. Bonds7

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide (PubChem CID 55460598) has the molecular formula C21H24ClNO5 and a molecular weight of 405.88 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide
PubChem CID55460598
Molecular FormulaC21H24ClNO5
Molecular Weight405.88 g/mol
Exact Mass405.13
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide
SMILESCOc1cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)ccc1OCCC(C)C
InChIInChI=1S/C21H24ClNO5/c1-13(2)6-7-26-17-5-4-14(10-18(17)25-3)21(24)23-16-12-20-19(11-15(16)22)27-8-9-28-20/h4-5,10-13H,6-9H2,1-3H3,(H,23,24)
InChIKeyFDGFRHDPXZWALR-UHFFFAOYSA-N
XLogP4.80
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 167871152
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 36664795
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
CID 39820893
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120603434
3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951918
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide
CID 39821289
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide
CID 43006948
N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide (CID 55460598) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide is COc1cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)ccc1OCCC(C)C.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide?
The InChIKey is FDGFRHDPXZWALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO5/c1-13(2)6-7-26-17-5-4-14(10-18(17)25-3)21(24)23-16-12-20-19(11-15(16)22)27-8-9-28-20/h4-5,10-13H,6-9H2,1-3H3,(H,23,24).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide has a molecular weight of 405.88 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methoxy-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 55460598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).