1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide

C16H21ClN2O3 — CID 108971485

IUPAC1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H21ClN2O3/c1-4-10(2)18-14(20)16(7-8-16)15(21)19-12-9-11(17)5-6-13(12)22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGVHKMQORFHDOOV-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.98
Rot. Bonds6

About 1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971485) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971485
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H21ClN2O3/c1-4-10(2)18-14(20)16(7-8-16)15(21)19-12-9-11(17)5-6-13(12)22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGVHKMQORFHDOOV-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982691
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982635
N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide
CID 43179785
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982910
1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971482
1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971543
N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,1-dicarboxamide
CID 108977981
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982684
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477

Frequently Asked Questions

What is the IUPAC name of 1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108971485) is 1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide is CCC(C)NC(=O)C1(C(=O)Nc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is GVHKMQORFHDOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-4-10(2)18-14(20)16(7-8-16)15(21)19-12-9-11(17)5-6-13(12)22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).