N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide

C17H13BrN2O2 — CID 91689981

IUPACN-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESNc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C17H13BrN2O2/c18-12-6-4-11(5-7-12)15-8-9-16(22-15)17(21)20-14-3-1-2-13(19)10-14/h1-10H,19H2,(H,20,21)
InChIKeyTYJFEFSJHMBDDH-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.54
Rot. Bonds3

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

N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide (PubChem CID 91689981) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
PubChem CID91689981
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC NameN-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESNc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C17H13BrN2O2/c18-12-6-4-11(5-7-12)15-8-9-16(22-15)17(21)20-14-3-1-2-13(19)10-14/h1-10H,19H2,(H,20,21)
InChIKeyTYJFEFSJHMBDDH-UHFFFAOYSA-N
XLogP4.54
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689995
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 100817326
5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315
N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689986
dimethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1323777
5-(4-bromophenyl)-N-[3-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]phenyl]furan-2-carboxamide
CID 4500752
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 11220940
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23820161
5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 3301806

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide (CID 91689981) is N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide is Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1.
What is the InChIKey of N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The InChIKey is TYJFEFSJHMBDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c18-12-6-4-11(5-7-12)15-8-9-16(22-15)17(21)20-14-3-1-2-13(19)10-14/h1-10H,19H2,(H,20,21).
What are the key properties of N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-(4-bromophenyl)furan-2-carboxamide is sourced from PubChem (CID 91689981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).