2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide

C17H13BrF2N2O2 — CID 109144039

IUPAC2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H13BrF2N2O2/c18-9-3-1-4-10(7-9)21-16(23)11-8-12(11)17(24)22-15-13(19)5-2-6-14(15)20/h1-7,11-12H,8H2,(H,21,23)(H,22,24)
InChIKeyCULXDSKYWXTCFF-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.94
Rot. Bonds4

About 2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide

2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109144039) has the molecular formula C17H13BrF2N2O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109144039
Molecular FormulaC17H13BrF2N2O2
Molecular Weight395.20 g/mol
Exact Mass394.01
IUPAC Name2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C17H13BrF2N2O2/c18-9-3-1-4-10(7-9)21-16(23)11-8-12(11)17(24)22-15-13(19)5-2-6-14(15)20/h1-7,11-12H,8H2,(H,21,23)(H,22,24)
InChIKeyCULXDSKYWXTCFF-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108522076
1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109144038
2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135103
2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide
CID 109140751
1-N-(2-fluorophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141026
2-amino-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 82235722
2-N-[4-(diethylamino)phenyl]-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143951
1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144245
2-N-(3-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141073
1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134103
1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133234
2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132549

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide (CID 109144039) is 2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide is O=C(Nc1cccc(Br)c1)C1CC1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is CULXDSKYWXTCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2O2/c18-9-3-1-4-10(7-9)21-16(23)11-8-12(11)17(24)22-15-13(19)5-2-6-14(15)20/h1-7,11-12H,8H2,(H,21,23)(H,22,24).
What are the key properties of 2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide?
2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 395.20 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109144039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).