5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide

C22H21BrN2O2 — CID 3301806

IUPAC5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C22H21BrN2O2/c23-18-7-5-17(6-8-18)20-11-12-21(27-20)22(26)24-19-9-3-16(4-10-19)15-25-13-1-2-14-25/h3-12H,1-2,13-15H2,(H,24,26)
InChIKeyOLEBXVMOHVQXQV-UHFFFAOYSA-N
MW425.33 g/mol
LogP5.56
Rot. Bonds5

About 5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide

5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 3301806) has the molecular formula C22H21BrN2O2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide
PubChem CID3301806
Molecular FormulaC22H21BrN2O2
Molecular Weight425.33 g/mol
Exact Mass424.08
IUPAC Name5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C22H21BrN2O2/c23-18-7-5-17(6-8-18)20-11-12-21(27-20)22(26)24-19-9-3-16(4-10-19)15-25-13-1-2-14-25/h3-12H,1-2,13-15H2,(H,24,26)
InChIKeyOLEBXVMOHVQXQV-UHFFFAOYSA-N
XLogP5.56
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 1316619
5-(4-bromophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 1017506
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 99613859
5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17050290
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
N-(4-bromophenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 68817727
5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315
2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805
N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689995

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide (CID 3301806) is 5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide?
The InChIKey is OLEBXVMOHVQXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O2/c23-18-7-5-17(6-8-18)20-11-12-21(27-20)22(26)24-19-9-3-16(4-10-19)15-25-13-1-2-14-25/h3-12H,1-2,13-15H2,(H,24,26).
What are the key properties of 5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide?
5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 425.33 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3301806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).