N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide

C20H18Cl2N2O2 — CID 53358422

IUPACN-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESCc1cc(CN)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
InChIKeyQWJOPXDAQCDRRM-UHFFFAOYSA-N
MW389.28 g/mol
LogP5.58
Rot. Bonds4

About N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide

N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide (PubChem CID 53358422) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
PubChem CID53358422
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC NameN-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESCc1cc(CN)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
InChIKeyQWJOPXDAQCDRRM-UHFFFAOYSA-N
XLogP5.58
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide (CID 53358422) is N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide is Cc1cc(CN)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The InChIKey is QWJOPXDAQCDRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide has a molecular weight of 389.28 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 53358422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).