5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide

C19H16BrNO4 — CID 2275315

IUPAC5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1OC
InChIInChI=1S/C19H16BrNO4/c1-23-16-8-7-14(11-18(16)24-2)21-19(22)17-10-9-15(25-17)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
InChIKeyPAVKQYMRHCWOQF-UHFFFAOYSA-N
MW402.24 g/mol
LogP4.98
Rot. Bonds5

About 5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide

5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide (PubChem CID 2275315) has the molecular formula C19H16BrNO4 and a molecular weight of 402.24 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
PubChem CID2275315
Molecular FormulaC19H16BrNO4
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC Name5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1OC
InChIInChI=1S/C19H16BrNO4/c1-23-16-8-7-14(11-18(16)24-2)21-19(22)17-10-9-15(25-17)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
InChIKeyPAVKQYMRHCWOQF-UHFFFAOYSA-N
XLogP4.98
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
CID 17117556
N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689986
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
dimethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1323777
N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 91689974
N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689995
5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 23967867
N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689981
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
5-(3,4-dimethoxyphenyl)-N-pyridin-1-ium-3-ylfuran-2-carboxamide
CID 153370246
5-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17128523
1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide (CID 2275315) is 5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1OC.
What is the InChIKey of 5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
The InChIKey is PAVKQYMRHCWOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4/c1-23-16-8-7-14(11-18(16)24-2)21-19(22)17-10-9-15(25-17)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22).
What are the key properties of 5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide?
5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide has a molecular weight of 402.24 g/mol, XLogP of 4.98, 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-(3,4-dimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 2275315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).