3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide

C17H15Cl2F2NO3 — CID 38939923

IUPAC3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2cccc(Cl)c2Cl)cc1OC(F)F
InChIInChI=1S/C17H15Cl2F2NO3/c1-24-13-7-6-11(9-14(13)25-17(20)21)22-15(23)8-5-10-3-2-4-12(18)16(10)19/h2-4,6-7,9,17H,5,8H2,1H3,(H,22,23)
InChIKeyPLTHMUIADSRZJI-UHFFFAOYSA-N
MW390.21 g/mol
LogP5.17
Rot. Bonds7

About 3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide

3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide (PubChem CID 38939923) has the molecular formula C17H15Cl2F2NO3 and a molecular weight of 390.21 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
PubChem CID38939923
Molecular FormulaC17H15Cl2F2NO3
Molecular Weight390.21 g/mol
Exact Mass389.04
IUPAC Name3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2cccc(Cl)c2Cl)cc1OC(F)F
InChIInChI=1S/C17H15Cl2F2NO3/c1-24-13-7-6-11(9-14(13)25-17(20)21)22-15(23)8-5-10-3-2-4-12(18)16(10)19/h2-4,6-7,9,17H,5,8H2,1H3,(H,22,23)
InChIKeyPLTHMUIADSRZJI-UHFFFAOYSA-N
XLogP5.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.21
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 100599366
N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
CID 31418500
2-(2,4-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 55539749
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 18272953
3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 38905184
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide (CID 38939923) is 3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide is COc1ccc(NC(=O)CCc2cccc(Cl)c2Cl)cc1OC(F)F.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide?
The InChIKey is PLTHMUIADSRZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F2NO3/c1-24-13-7-6-11(9-14(13)25-17(20)21)22-15(23)8-5-10-3-2-4-12(18)16(10)19/h2-4,6-7,9,17H,5,8H2,1H3,(H,22,23).
What are the key properties of 3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide?
3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide has a molecular weight of 390.21 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide is sourced from PubChem (CID 38939923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).