1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide

C16H19BrN2O2 — CID 109132141

IUPAC1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1Br)C1CC1C(=O)NC1CCCC1
InChIInChI=1S/C16H19BrN2O2/c17-13-7-3-4-8-14(13)19-16(21)12-9-11(12)15(20)18-10-5-1-2-6-10/h3-4,7-8,10-12H,1-2,5-6,9H2,(H,18,20)(H,19,21)
InChIKeyYARGPRHBPCAVAE-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.08
Rot. Bonds4

About 1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide

1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide (PubChem CID 109132141) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
PubChem CID109132141
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1Br)C1CC1C(=O)NC1CCCC1
InChIInChI=1S/C16H19BrN2O2/c17-13-7-3-4-8-14(13)19-16(21)12-9-11(12)15(20)18-10-5-1-2-6-10/h3-4,7-8,10-12H,1-2,5-6,9H2,(H,18,20)(H,19,21)
InChIKeyYARGPRHBPCAVAE-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopentyl-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132069
1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132143
2-N-cyclopentyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132081
1-(2-bromophenyl)-3-cyclododecylurea
CID 108868750
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
2-N-cyclopentyl-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132110
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
trans-(1R,2R)-2-[(2-bromophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7429966
N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47244785
N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79260937
1-N-(2-cyanophenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109131004
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide (CID 109132141) is 1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide is O=C(Nc1ccccc1Br)C1CC1C(=O)NC1CCCC1.
What is the InChIKey of 1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide?
The InChIKey is YARGPRHBPCAVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c17-13-7-3-4-8-14(13)19-16(21)12-9-11(12)15(20)18-10-5-1-2-6-10/h3-4,7-8,10-12H,1-2,5-6,9H2,(H,18,20)(H,19,21).
What are the key properties of 1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide?
1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide has a molecular weight of 351.24 g/mol, XLogP of 3.08, 4 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-cyclopentylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).