N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide

C18H15BrN2O3 — CID 91689986

IUPACN-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESCOc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H15BrN2O3/c1-23-16-7-6-13(20)10-14(16)21-18(22)17-9-8-15(24-17)11-2-4-12(19)5-3-11/h2-10H,20H2,1H3,(H,21,22)
InChIKeyKYBVKQBLKYGRGK-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.55
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide

N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide (PubChem CID 91689986) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide
PubChem CID91689986
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC NameN-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESCOc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H15BrN2O3/c1-23-16-7-6-13(20)10-14(16)21-18(22)17-9-8-15(24-17)11-2-4-12(19)5-3-11/h2-10H,20H2,1H3,(H,21,22)
InChIKeyKYBVKQBLKYGRGK-UHFFFAOYSA-N
XLogP4.55
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide
CID 17093131
N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689981
5-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 3393060
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28667739
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
5-(4-bromophenyl)-N-[3-methoxy-4-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
CID 17117556
dimethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1323777
4-[[5-(4-bromophenyl)furan-2-carbonyl]amino]-3-methylbenzoic acid
CID 28669670
N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 91689974

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide (CID 91689986) is N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide is COc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The InChIKey is KYBVKQBLKYGRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-23-16-7-6-13(20)10-14(16)21-18(22)17-9-8-15(24-17)11-2-4-12(19)5-3-11/h2-10H,20H2,1H3,(H,21,22).
What are the key properties of N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide?
N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide has a molecular weight of 387.23 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide is sourced from PubChem (CID 91689986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).