N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide

C15H15BrN2O2 — CID 103698673

IUPACN-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NCc2occc2Br)c1)C1CC1
InChIInChI=1S/C15H15BrN2O2/c16-13-6-7-20-14(13)9-17-11-2-1-3-12(8-11)18-15(19)10-4-5-10/h1-3,6-8,10,17H,4-5,9H2,(H,18,19)
InChIKeyDCBYEOCUEXDXPK-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.00
Rot. Bonds5

About N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide

N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide (PubChem CID 103698673) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide
PubChem CID103698673
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NCc2occc2Br)c1)C1CC1
InChIInChI=1S/C15H15BrN2O2/c16-13-6-7-20-14(13)9-17-11-2-1-3-12(8-11)18-15(19)10-4-5-10/h1-3,6-8,10,17H,4-5,9H2,(H,18,19)
InChIKeyDCBYEOCUEXDXPK-UHFFFAOYSA-N
XLogP4.00
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(furan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 63204289
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylfuran-3-carboxamide
CID 38325558
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
CID 107444617
N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 82834678
N-[3-[(1-ethylpyrrol-3-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 66400073
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 43663572
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-(3-formamidophenyl)cyclopropanecarboxamide
CID 64991224

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide (CID 103698673) is N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(NCc2occc2Br)c1)C1CC1.
What is the InChIKey of N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is DCBYEOCUEXDXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-6-7-20-14(13)9-17-11-2-1-3-12(8-11)18-15(19)10-4-5-10/h1-3,6-8,10,17H,4-5,9H2,(H,18,19).
What are the key properties of N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide?
N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 335.20 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromofuran-2-yl)methylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 103698673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).