N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide

C19H17Cl2NO3 — CID 148520683

IUPACN-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(=O)Cc2ccc(Cl)c(Cl)c2)cc1NC(=O)C1CC1
InChIInChI=1S/C19H17Cl2NO3/c1-25-18-7-5-13(10-16(18)22-19(24)12-3-4-12)17(23)9-11-2-6-14(20)15(21)8-11/h2,5-8,10,12H,3-4,9H2,1H3,(H,22,24)
InChIKeyMOIOZWSLGZQQEN-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.78
Rot. Bonds6

About N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide

N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide (PubChem CID 148520683) has the molecular formula C19H17Cl2NO3 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide
PubChem CID148520683
Molecular FormulaC19H17Cl2NO3
Molecular Weight378.26 g/mol
Exact Mass377.06
IUPAC NameN-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(=O)Cc2ccc(Cl)c(Cl)c2)cc1NC(=O)C1CC1
InChIInChI=1S/C19H17Cl2NO3/c1-25-18-7-5-13(10-16(18)22-19(24)12-3-4-12)17(23)9-11-2-6-14(20)15(21)8-11/h2,5-8,10,12H,3-4,9H2,1H3,(H,22,24)
InChIKeyMOIOZWSLGZQQEN-UHFFFAOYSA-N
XLogP4.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide
CID 158506803
N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide
CID 158250059
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
1-[(3,4-dichlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 43920044
4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672574
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
4-N-(2-methoxy-5-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148181
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide (CID 148520683) is N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide is COc1ccc(C(=O)Cc2ccc(Cl)c(Cl)c2)cc1NC(=O)C1CC1.
What is the InChIKey of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide?
The InChIKey is MOIOZWSLGZQQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO3/c1-25-18-7-5-13(10-16(18)22-19(24)12-3-4-12)17(23)9-11-2-6-14(20)15(21)8-11/h2,5-8,10,12H,3-4,9H2,1H3,(H,22,24).
What are the key properties of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide?
N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide has a molecular weight of 378.26 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 148520683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).