N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide

C20H16Cl2N2O4 — CID 1086039

IUPACN-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1
InChIInChI=1S/C20H16Cl2N2O4/c1-12-9-14(5-6-16(12)24-20(26)18-3-2-8-27-18)23-19(25)11-28-17-7-4-13(21)10-15(17)22/h2-10H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyIEHFOKHJLJFXDK-UHFFFAOYSA-N
MW419.26 g/mol
LogP5.16
Rot. Bonds6

About N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide

N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide (PubChem CID 1086039) has the molecular formula C20H16Cl2N2O4 and a molecular weight of 419.26 g/mol. Its IUPAC name is N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
PubChem CID1086039
Molecular FormulaC20H16Cl2N2O4
Molecular Weight419.26 g/mol
Exact Mass418.05
IUPAC NameN-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1
InChIInChI=1S/C20H16Cl2N2O4/c1-12-9-14(5-6-16(12)24-20(26)18-3-2-8-27-18)23-19(25)11-28-17-7-4-13(21)10-15(17)22/h2-10H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyIEHFOKHJLJFXDK-UHFFFAOYSA-N
XLogP5.16
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.26
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355
N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062756
N-[3-[[2-(2,5-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 24647647
N-[2-chloro-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 23798450
N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 4221258
N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 2273531
N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 5346300
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
N-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119300225
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016051

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide (CID 1086039) is N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide is Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is IEHFOKHJLJFXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4/c1-12-9-14(5-6-16(12)24-20(26)18-3-2-8-27-18)23-19(25)11-28-17-7-4-13(21)10-15(17)22/h2-10H,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide?
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 419.26 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 1086039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).