N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide

C22H21BrN2O5 — CID 30309281

IUPACN-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O5/c1-22(2,30-16-9-6-14(23)7-10-16)21(27)25-17-13-15(8-11-18(17)28-3)24-20(26)19-5-4-12-29-19/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeyOXWBMVKVGNKSFK-UHFFFAOYSA-N
MW473.32 g/mol
LogP5.10
Rot. Bonds7

About N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide

N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide (PubChem CID 30309281) has the molecular formula C22H21BrN2O5 and a molecular weight of 473.32 g/mol. Its IUPAC name is N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide
PubChem CID30309281
Molecular FormulaC22H21BrN2O5
Molecular Weight473.32 g/mol
Exact Mass472.06
IUPAC NameN-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O5/c1-22(2,30-16-9-6-14(23)7-10-16)21(27)25-17-13-15(8-11-18(17)28-3)24-20(26)19-5-4-12-29-19/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeyOXWBMVKVGNKSFK-UHFFFAOYSA-N
XLogP5.10
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.32
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[(4-bromobenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 5091898
N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 2237008
N-[3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 4261831
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-[3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 3913489
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 1091667
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2212927
2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid
CID 4905370
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 168593134
N-[4-methoxy-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 17109707

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide (CID 30309281) is N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide is COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1.
What is the InChIKey of N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide?
The InChIKey is OXWBMVKVGNKSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O5/c1-22(2,30-16-9-6-14(23)7-10-16)21(27)25-17-13-15(8-11-18(17)28-3)24-20(26)19-5-4-12-29-19/h4-13H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide?
N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide has a molecular weight of 473.32 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 30309281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).