N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide

C17H17Cl2NO3 — CID 2223889

IUPACN-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(C)C
InChIInChI=1S/C17H17Cl2NO3/c1-10(2)23-15-7-4-11(8-16(15)22-3)17(21)20-12-5-6-13(18)14(19)9-12/h4-10H,1-3H3,(H,20,21)
InChIKeyDKTHNFKIUJIWFY-UHFFFAOYSA-N
MW354.23 g/mol
LogP5.04
Rot. Bonds5

About N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide

N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 2223889) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID2223889
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC NameN-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(C)C
InChIInChI=1S/C17H17Cl2NO3/c1-10(2)23-15-7-4-11(8-16(15)22-3)17(21)20-12-5-6-13(18)14(19)9-12/h4-10H,1-3H3,(H,20,21)
InChIKeyDKTHNFKIUJIWFY-UHFFFAOYSA-N
XLogP5.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.23
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51159004
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
N-(5-acetamido-2-chlorophenyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 55916592
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 55768753
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide
CID 46520822
N-(3,4-dichlorophenyl)-3-(dimethylcarbamoylamino)-4-methoxybenzamide
CID 118878026

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide (CID 2223889) is N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(C)C.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is DKTHNFKIUJIWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-10(2)23-15-7-4-11(8-16(15)22-3)17(21)20-12-5-6-13(18)14(19)9-12/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide?
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 354.23 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 2223889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).