2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide

C18H14BrN3O2 — CID 109143302

IUPAC2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1CC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3O2/c19-12-5-7-13(8-6-12)21-17(23)14-9-15(14)18(24)22-16-4-2-1-3-11(16)10-20/h1-8,14-15H,9H2,(H,21,23)(H,22,24)
InChIKeyCPQNJZVBBGJAHO-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.53
Rot. Bonds4

About 2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide

2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143302) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143302
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1CC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3O2/c19-12-5-7-13(8-6-12)21-17(23)14-9-15(14)18(24)22-16-4-2-1-3-11(16)10-20/h1-8,14-15H,9H2,(H,21,23)(H,22,24)
InChIKeyCPQNJZVBBGJAHO-UHFFFAOYSA-N
XLogP3.53
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143947
2-N-(4-bromophenyl)-1-N-(2-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142656
1-N-(2-cyanophenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109131004
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
N-(2-cyanophenyl)-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134639
1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134958
1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109144038
1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135868

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide (CID 109143302) is 2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide is N#Cc1ccccc1NC(=O)C1CC1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is CPQNJZVBBGJAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-12-5-7-13(8-6-12)21-17(23)14-9-15(14)18(24)22-16-4-2-1-3-11(16)10-20/h1-8,14-15H,9H2,(H,21,23)(H,22,24).
What are the key properties of 2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide?
2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 384.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).