N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide

C20H16Cl2N2O3 — CID 18145259

IUPACN-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H16Cl2N2O3/c21-16-3-1-4-17(22)15(16)11-19(25)23-12-13-6-8-14(9-7-13)24-20(26)18-5-2-10-27-18/h1-10H,11-12H2,(H,23,25)(H,24,26)
InChIKeyPMOGDFXYGFGTNH-UHFFFAOYSA-N
MW403.27 g/mol
LogP4.70
Rot. Bonds6

About N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 18145259) has the molecular formula C20H16Cl2N2O3 and a molecular weight of 403.27 g/mol. Its IUPAC name is N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID18145259
Molecular FormulaC20H16Cl2N2O3
Molecular Weight403.27 g/mol
Exact Mass402.05
IUPAC NameN-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H16Cl2N2O3/c21-16-3-1-4-17(22)15(16)11-19(25)23-12-13-6-8-14(9-7-13)24-20(26)18-5-2-10-27-18/h1-10H,11-12H2,(H,23,25)(H,24,26)
InChIKeyPMOGDFXYGFGTNH-UHFFFAOYSA-N
XLogP4.70
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 30785207
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-[[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 60575821
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
methyl 3-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]-5-(furan-2-carbonylamino)benzoate
CID 42370507
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 32731119
N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620669
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 46671768
N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
CID 42017935
N-[4-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78833691

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide (CID 18145259) is N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide is O=C(Cc1c(Cl)cccc1Cl)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is PMOGDFXYGFGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3/c21-16-3-1-4-17(22)15(16)11-19(25)23-12-13-6-8-14(9-7-13)24-20(26)18-5-2-10-27-18/h1-10H,11-12H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 403.27 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 18145259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).