N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide

C17H12BrNO3 — CID 24531773

IUPACN-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccoc1
InChIInChI=1S/C17H12BrNO3/c18-13-1-5-15(6-2-13)22-16-7-3-14(4-8-16)19-17(20)12-9-10-21-11-12/h1-11H,(H,19,20)
InChIKeyFNFUYDWGQBBAAH-UHFFFAOYSA-N
MW358.19 g/mol
LogP5.09
Rot. Bonds4

About N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide

N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide (PubChem CID 24531773) has the molecular formula C17H12BrNO3 and a molecular weight of 358.19 g/mol. Its IUPAC name is N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide
PubChem CID24531773
Molecular FormulaC17H12BrNO3
Molecular Weight358.19 g/mol
Exact Mass357.00
IUPAC NameN-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccoc1
InChIInChI=1S/C17H12BrNO3/c18-13-1-5-15(6-2-13)22-16-7-3-14(4-8-16)19-17(20)12-9-10-21-11-12/h1-11H,(H,19,20)
InChIKeyFNFUYDWGQBBAAH-UHFFFAOYSA-N
XLogP5.09
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.19
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamothioylphenyl)furan-3-carboxamide
CID 24704520
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
4-[4-[(4-bromobenzoyl)amino]phenoxy]phthalic acid
CID 1249686
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]furan-3-carboxamide
CID 25348399
N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride
CID 18368297
N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide
CID 106909959
4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide
CID 4686155
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide (CID 24531773) is N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide is O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccoc1.
What is the InChIKey of N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide?
The InChIKey is FNFUYDWGQBBAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO3/c18-13-1-5-15(6-2-13)22-16-7-3-14(4-8-16)19-17(20)12-9-10-21-11-12/h1-11H,(H,19,20).
What are the key properties of N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide?
N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide has a molecular weight of 358.19 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenoxy)phenyl]furan-3-carboxamide is sourced from PubChem (CID 24531773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).