2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide

C20H21ClN2O3 — CID 109135673

IUPAC2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CC1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H21ClN2O3/c1-12(13-6-4-3-5-7-13)22-19(24)15-11-16(15)20(25)23-17-10-14(21)8-9-18(17)26-2/h3-10,12,15-16H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCLRIEZZYWCALRQ-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.80
Rot. Bonds6

About 2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide

2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109135673) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109135673
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CC1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H21ClN2O3/c1-12(13-6-4-3-5-7-13)22-19(24)15-11-16(15)20(25)23-17-10-14(21)8-9-18(17)26-2/h3-10,12,15-16H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCLRIEZZYWCALRQ-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
2-N-(3-chlorophenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135664
cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide
CID 158550362
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 7830809
1-N-(5-chloro-2-methoxyphenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141518
2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142425
1-N-(5-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143056
6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206
1-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142084
2-N-(2,5-dimethoxyphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130753

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide (CID 109135673) is 2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide is COc1ccc(Cl)cc1NC(=O)C1CC1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is CLRIEZZYWCALRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12(13-6-4-3-5-7-13)22-19(24)15-11-16(15)20(25)23-17-10-14(21)8-9-18(17)26-2/h3-10,12,15-16H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).