2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide

C18H16ClF2NO5 — CID 18280392

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1OC(F)F
InChIInChI=1S/C18H16ClF2NO5/c1-24-13-3-2-11(9-14(13)27-18(20)21)22-16(23)8-10-6-12(19)17-15(7-10)25-4-5-26-17/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,22,23)
InChIKeyNYXPDZFERSPNDU-UHFFFAOYSA-N
MW399.78 g/mol
LogP3.90
Rot. Bonds6

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide (PubChem CID 18280392) has the molecular formula C18H16ClF2NO5 and a molecular weight of 399.78 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
PubChem CID18280392
Molecular FormulaC18H16ClF2NO5
Molecular Weight399.78 g/mol
Exact Mass399.07
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1OC(F)F
InChIInChI=1S/C18H16ClF2NO5/c1-24-13-3-2-11(9-14(13)27-18(20)21)22-16(23)8-10-6-12(19)17-15(7-10)25-4-5-26-17/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,22,23)
InChIKeyNYXPDZFERSPNDU-UHFFFAOYSA-N
XLogP3.90
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide with MolForge

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
CID 27286277
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide
CID 51276762
2-(2,4-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 55539749
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 55691723
2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111038214
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9405471
3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 38939923
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide
CID 35053547
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
CID 39171394

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide (CID 18280392) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1OC(F)F.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide?
The InChIKey is NYXPDZFERSPNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO5/c1-24-13-3-2-11(9-14(13)27-18(20)21)22-16(23)8-10-6-12(19)17-15(7-10)25-4-5-26-17/h2-3,6-7,9,18H,4-5,8H2,1H3,(H,22,23).
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide has a molecular weight of 399.78 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 18280392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).