N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide

C18H18ClNO4 — CID 17413257

IUPACN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1cc2c(cc1Cl)OCCCO2
InChIInChI=1S/C18H18ClNO4/c1-22-15-6-3-2-5-12(15)9-18(21)20-14-11-17-16(10-13(14)19)23-7-4-8-24-17/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,20,21)
InChIKeyMKDUIYLXSNZBOD-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.69
Rot. Bonds4

About N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 17413257) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID17413257
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC NameN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1cc2c(cc1Cl)OCCCO2
InChIInChI=1S/C18H18ClNO4/c1-22-15-6-3-2-5-12(15)9-18(21)20-14-11-17-16(10-13(14)19)23-7-4-8-24-17/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,20,21)
InChIKeyMKDUIYLXSNZBOD-UHFFFAOYSA-N
XLogP3.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 3375078
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 167871152
methyl 2-[benzyl-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl]amino]acetate
CID 55993999
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-phenylpropanamide
CID 17400861
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 52679681
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 41163844
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 39820182
2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 37223693
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 55467681
N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16602077

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide (CID 17413257) is N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1cc2c(cc1Cl)OCCCO2.
What is the InChIKey of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is MKDUIYLXSNZBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-22-15-6-3-2-5-12(15)9-18(21)20-14-11-17-16(10-13(14)19)23-7-4-8-24-17/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,20,21).
What are the key properties of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide?
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 347.80 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 17413257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).