3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide

C23H18Cl2N2O2 — CID 110826674

IUPAC3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3ccccc3c2NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H18Cl2N2O2/c1-14-5-4-6-17(11-14)27-23(28)22-21(18-7-2-3-8-20(18)29-22)26-13-15-9-10-16(24)12-19(15)25/h2-12,26H,13H2,1H3,(H,27,28)
InChIKeyRZGYSYZWBGQFQT-UHFFFAOYSA-N
MW425.32 g/mol
LogP6.91
Rot. Bonds5

About 3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide

3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 110826674) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
PubChem CID110826674
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2oc3ccccc3c2NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H18Cl2N2O2/c1-14-5-4-6-17(11-14)27-23(28)22-21(18-7-2-3-8-20(18)29-22)26-13-15-9-10-16(24)12-19(15)25/h2-12,26H,13H2,1H3,(H,27,28)
InChIKeyRZGYSYZWBGQFQT-UHFFFAOYSA-N
XLogP6.91
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-(2-methylpropylamino)-1-benzofuran-2-carboxamide
CID 110827128
N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide
CID 110827101
N-(3-chlorophenyl)-3-(heptylamino)-1-benzofuran-2-carboxamide
CID 110826934
3-(5-chloro-2-hydroxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1H-pyrazole-5-carboxamide
CID 135785317
3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 110829952
N-(3-methylphenyl)-3-[[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]amino]-1-benzofuran-2-carboxamide
CID 110828028
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817375
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide
CID 110827753
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide (CID 110826674) is 3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide is Cc1cccc(NC(=O)c2oc3ccccc3c2NCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is RZGYSYZWBGQFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c1-14-5-4-6-17(11-14)27-23(28)22-21(18-7-2-3-8-20(18)29-22)26-13-15-9-10-16(24)12-19(15)25/h2-12,26H,13H2,1H3,(H,27,28).
What are the key properties of 3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 425.32 g/mol, XLogP of 6.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110826674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).