5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide

C15H13BrN2O3 — CID 51299744

IUPAC5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H13BrN2O3/c16-13-8-7-12(21-13)15(20)18-10-3-1-9(2-4-10)14(19)17-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,17,19)(H,18,20)
InChIKeyIDXWYUMNCSGQKF-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.19
Rot. Bonds4

About 5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 51299744) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID51299744
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H13BrN2O3/c16-13-8-7-12(21-13)15(20)18-10-3-1-9(2-4-10)14(19)17-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,17,19)(H,18,20)
InChIKeyIDXWYUMNCSGQKF-UHFFFAOYSA-N
XLogP3.19
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 112841023
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
cyclohexyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 1407181
N-[4-(cyclopropylcarbamoyl)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46584687
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 17199012
5-(benzenesulfonylmethyl)-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55488951

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide (CID 51299744) is 5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide is O=C(NC1CC1)c1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is IDXWYUMNCSGQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-13-8-7-12(21-13)15(20)18-10-3-1-9(2-4-10)14(19)17-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 349.18 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 51299744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).