1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide

C19H23BrN2O2 — CID 109132874

IUPAC1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC1C(=O)Nc1ccccc1Br
InChIInChI=1S/C19H23BrN2O2/c20-16-8-4-5-9-17(16)22-19(24)15-12-14(15)18(23)21-11-10-13-6-2-1-3-7-13/h4-6,8-9,14-15H,1-3,7,10-12H2,(H,21,23)(H,22,24)
InChIKeyUHGGNCHNTNSBBP-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.03
Rot. Bonds6

About 1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide

1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109132874) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109132874
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC1C(=O)Nc1ccccc1Br
InChIInChI=1S/C19H23BrN2O2/c20-16-8-4-5-9-17(16)22-19(24)15-12-14(15)18(23)21-11-10-13-6-2-1-3-7-13/h4-6,8-9,14-15H,1-3,7,10-12H2,(H,21,23)(H,22,24)
InChIKeyUHGGNCHNTNSBBP-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132835
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132821
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132859
N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014952
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132856
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132849
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
1-N-[2-(cyclohexen-1-yl)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109132801
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109132824
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109132767

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109132874) is 1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide is O=C(NCCC1=CCCCC1)C1CC1C(=O)Nc1ccccc1Br.
What is the InChIKey of 1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is UHGGNCHNTNSBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c20-16-8-4-5-9-17(16)22-19(24)15-12-14(15)18(23)21-11-10-13-6-2-1-3-7-13/h4-6,8-9,14-15H,1-3,7,10-12H2,(H,21,23)(H,22,24).
What are the key properties of 1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 391.31 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).