1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide

C16H22BrN3O2 — CID 109134103

IUPAC1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
SMILESCN(C)CCCNC(=O)C1CC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H22BrN3O2/c1-20(2)8-4-7-18-15(21)13-10-14(13)16(22)19-12-6-3-5-11(17)9-12/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyQOWHWZAJCGEYCA-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.09
Rot. Bonds7

About 1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide

1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109134103) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
PubChem CID109134103
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
SMILESCN(C)CCCNC(=O)C1CC1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H22BrN3O2/c1-20(2)8-4-7-18-15(21)13-10-14(13)16(22)19-12-6-3-5-11(17)9-12/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyQOWHWZAJCGEYCA-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.09
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

1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133234
2-N-[2-(dimethylamino)ethyl]-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133778
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057
2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140203
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706
1-(3-bromophenyl)-3-[3-(dimethylamino)propyl]thiourea
CID 92524449
2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135103
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755
1-N-benzyl-2-N-(3-bromophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135850
1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147342
2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142192
2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144039

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide (CID 109134103) is 1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide is CN(C)CCCNC(=O)C1CC1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is QOWHWZAJCGEYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-20(2)8-4-7-18-15(21)13-10-14(13)16(22)19-12-6-3-5-11(17)9-12/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide?
1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 368.28 g/mol, XLogP of 2.09, 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-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109134103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).