N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide

C15H14Br2N2O2 — CID 62083752

IUPACN-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide
SMILESO=C(NC1CC1)c1cccc(NCc2cc(Br)c(Br)o2)c1
InChIInChI=1S/C15H14Br2N2O2/c16-13-7-12(21-14(13)17)8-18-11-3-1-2-9(6-11)15(20)19-10-4-5-10/h1-3,6-7,10,18H,4-5,8H2,(H,19,20)
InChIKeyJNKMHEVQROOXIL-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.31
Rot. Bonds5

About N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide

N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide (PubChem CID 62083752) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide
PubChem CID62083752
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC NameN-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide
SMILESO=C(NC1CC1)c1cccc(NCc2cc(Br)c(Br)o2)c1
InChIInChI=1S/C15H14Br2N2O2/c16-13-7-12(21-14(13)17)8-18-11-3-1-2-9(6-11)15(20)19-10-4-5-10/h1-3,6-7,10,18H,4-5,8H2,(H,19,20)
InChIKeyJNKMHEVQROOXIL-UHFFFAOYSA-N
XLogP4.31
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-cyclopropyl-3-(cyclopropylamino)benzamide
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N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66399986
4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid
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N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide
CID 26489644
N-cyclopropyl-3-[(4-methoxy-2-methylphenyl)methylamino]benzamide
CID 167899942
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54830996
N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656504

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide (CID 62083752) is N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide is O=C(NC1CC1)c1cccc(NCc2cc(Br)c(Br)o2)c1.
What is the InChIKey of N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide?
The InChIKey is JNKMHEVQROOXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c16-13-7-12(21-14(13)17)8-18-11-3-1-2-9(6-11)15(20)19-10-4-5-10/h1-3,6-7,10,18H,4-5,8H2,(H,19,20).
What are the key properties of N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide?
N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide has a molecular weight of 414.10 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide is sourced from PubChem (CID 62083752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).