N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

C23H23ClN2O4 — CID 5346300

IUPACN-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C23H23ClN2O4/c1-14(2)17-8-6-15(3)11-21(17)30-13-22(27)25-16-7-9-18(24)19(12-16)26-23(28)20-5-4-10-29-20/h4-12,14H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyINQWSLLVMVLBKX-UHFFFAOYSA-N
MW426.90 g/mol
LogP5.63
Rot. Bonds7

About N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 5346300) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID5346300
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC NameN-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C23H23ClN2O4/c1-14(2)17-8-6-15(3)11-21(17)30-13-22(27)25-16-7-9-18(24)19(12-16)26-23(28)20-5-4-10-29-20/h4-12,14H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyINQWSLLVMVLBKX-UHFFFAOYSA-N
XLogP5.63
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-chloro-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 23798450
N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1123641
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 1086039
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1397624
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355
N-[3-[[2-(2,5-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 24647647
N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 9324992
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1325958
N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide
CID 168521364
2-(3,4-dichlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 2434922

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (CID 5346300) is N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3ccco3)c2)c1.
What is the InChIKey of N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is INQWSLLVMVLBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-14(2)17-8-6-15(3)11-21(17)30-13-22(27)25-16-7-9-18(24)19(12-16)26-23(28)20-5-4-10-29-20/h4-12,14H,13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 5346300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).