1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide

C15H19ClN2O2 — CID 109131711

IUPAC1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-3-9(2)17-14(19)12-8-13(12)15(20)18-11-6-4-5-10(16)7-11/h4-7,9,12-13H,3,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWNRSIKMILKANFS-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.83
Rot. Bonds5

About 1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide

1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109131711) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109131711
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCCC(C)NC(=O)C1CC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-3-9(2)17-14(19)12-8-13(12)15(20)18-11-6-4-5-10(16)7-11/h4-7,9,12-13H,3,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWNRSIKMILKANFS-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-chlorophenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135664
1-N-(3-chlorophenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131518
1-N-butan-2-yl-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131774
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
1-N-butan-2-yl-2-N-[2,6-di(propan-2-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109131764
N-(3-chlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131903
2-N-(3-chlorophenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142878
2-N-(3-chlorophenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141918
1-N-butan-2-yl-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131727
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide (CID 109131711) is 1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide is CCC(C)NC(=O)C1CC1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is WNRSIKMILKANFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-9(2)17-14(19)12-8-13(12)15(20)18-11-6-4-5-10(16)7-11/h4-7,9,12-13H,3,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide?
1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).