5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide

C22H21BrN2O3 — CID 1316619

IUPAC5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C22H21BrN2O3/c23-18-5-3-17(4-6-18)20-9-10-21(28-20)22(26)24-19-7-1-16(2-8-19)15-25-11-13-27-14-12-25/h1-10H,11-15H2,(H,24,26)
InChIKeyROOVJNIBQBDWFK-UHFFFAOYSA-N
MW441.33 g/mol
LogP4.79
Rot. Bonds5

About 5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide

5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 1316619) has the molecular formula C22H21BrN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
PubChem CID1316619
Molecular FormulaC22H21BrN2O3
Molecular Weight441.33 g/mol
Exact Mass440.07
IUPAC Name5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C22H21BrN2O3/c23-18-5-3-17(4-6-18)20-9-10-21(28-20)22(26)24-19-7-1-16(2-8-19)15-25-11-13-27-14-12-25/h1-10H,11-15H2,(H,24,26)
InChIKeyROOVJNIBQBDWFK-UHFFFAOYSA-N
XLogP4.79
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 3301806
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17050290
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 18162315
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
(E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274359
5-(4-bromophenyl)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17335416
5-bromo-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]furan-2-carboxamide
CID 84559000

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide (CID 1316619) is 5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?
The InChIKey is ROOVJNIBQBDWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3/c23-18-5-3-17(4-6-18)20-9-10-21(28-20)22(26)24-19-7-1-16(2-8-19)15-25-11-13-27-14-12-25/h1-10H,11-15H2,(H,24,26).
What are the key properties of 5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?
5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 441.33 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1316619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).