7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide

C18H16ClF2NO5 — CID 9482481

IUPAC7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)ccc1OC(F)F
InChIInChI=1S/C18H16ClF2NO5/c1-24-14-6-10(2-3-13(14)27-18(20)21)4-5-22-17(23)11-7-12(19)16-15(8-11)25-9-26-16/h2-3,6-8,18H,4-5,9H2,1H3,(H,22,23)
InChIKeyQUHDSGGILMYMKI-UHFFFAOYSA-N
MW399.78 g/mol
LogP3.65
Rot. Bonds7

About 7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 9482481) has the molecular formula C18H16ClF2NO5 and a molecular weight of 399.78 g/mol. Its IUPAC name is 7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID9482481
Molecular FormulaC18H16ClF2NO5
Molecular Weight399.78 g/mol
Exact Mass399.07
IUPAC Name7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)ccc1OC(F)F
InChIInChI=1S/C18H16ClF2NO5/c1-24-14-6-10(2-3-13(14)27-18(20)21)4-5-22-17(23)11-7-12(19)16-15(8-11)25-9-26-16/h2-3,6-8,18H,4-5,9H2,1H3,(H,22,23)
InChIKeyQUHDSGGILMYMKI-UHFFFAOYSA-N
XLogP3.65
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide 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

4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(methoxymethyl)benzamide
CID 9482427
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9405471
7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 9404639
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 29206385
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide
CID 9482367
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9482509
1-amino-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 65464069
4-bromo-N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]benzamide
CID 26443729
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
CID 17480805
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 9482481) is 7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide is COc1cc(CCNC(=O)c2cc(Cl)c3c(c2)OCO3)ccc1OC(F)F.
What is the InChIKey of 7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is QUHDSGGILMYMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO5/c1-24-14-6-10(2-3-13(14)27-18(20)21)4-5-22-17(23)11-7-12(19)16-15(8-11)25-9-26-16/h2-3,6-8,18H,4-5,9H2,1H3,(H,22,23).
What are the key properties of 7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 399.78 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 9482481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).