N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide

C20H17BrN2O3 — CID 9152076

IUPACN-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1Br
InChIInChI=1S/C20H17BrN2O3/c1-13(16-5-2-3-6-17(16)21)22-19(24)14-8-10-15(11-9-14)23-20(25)18-7-4-12-26-18/h2-13H,1H3,(H,22,24)(H,23,25)/t13-/m1/s1
InChIKeyVVLCAQCNYLUYCZ-CYBMUJFWSA-N
MW413.27 g/mol
LogP4.79
Rot. Bonds5

About N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 9152076) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID9152076
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC NameN-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1Br
InChIInChI=1S/C20H17BrN2O3/c1-13(16-5-2-3-6-17(16)21)22-19(24)14-8-10-15(11-9-14)23-20(25)18-7-4-12-26-18/h2-13H,1H3,(H,22,24)(H,23,25)/t13-/m1/s1
InChIKeyVVLCAQCNYLUYCZ-CYBMUJFWSA-N
XLogP4.79
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(2-bromophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 24544718
N-[4-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 51205981
N-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55388221
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9368629
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-[3-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55822141
N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 51219141
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(chloromethyl)benzamide
CID 81383110
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51181201
N-[4-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55736204

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide (CID 9152076) is N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1Br.
What is the InChIKey of N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is VVLCAQCNYLUYCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-13(16-5-2-3-6-17(16)21)22-19(24)14-8-10-15(11-9-14)23-20(25)18-7-4-12-26-18/h2-13H,1H3,(H,22,24)(H,23,25)/t13-/m1/s1.
What are the key properties of N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 413.27 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R)-1-(2-bromophenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9152076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).