1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide

C15H19BrN2O3 — CID 109133234

IUPAC1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCCNC(=O)C1CC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O3/c1-21-7-3-6-17-14(19)12-9-13(12)15(20)18-11-5-2-4-10(16)8-11/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeySRCXQGBKVATSAZ-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.18
Rot. Bonds7

About 1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide

1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133234) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133234
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCCNC(=O)C1CC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O3/c1-21-7-3-6-17-14(19)12-9-13(12)15(20)18-11-5-2-4-10(16)8-11/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeySRCXQGBKVATSAZ-UHFFFAOYSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134103
2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133163
1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133078
1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133253
2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135103
1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
CID 109139542
1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133203
1-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133083
4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
2-N-(3-methoxypropyl)-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133177
1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132998

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide (CID 109133234) is 1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide is COCCCNC(=O)C1CC1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is SRCXQGBKVATSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-21-7-3-6-17-14(19)12-9-13(12)15(20)18-11-5-2-4-10(16)8-11/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 355.23 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).