N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide

C19H16Cl2N2O3 — CID 100828700

IUPACN-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
SMILESCOc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C19H16Cl2N2O3/c1-10-3-4-11(7-13(10)20)15-5-6-16(26-15)19(24)23-18-14(21)8-12(22)9-17(18)25-2/h3-9H,22H2,1-2H3,(H,23,24)
InChIKeyMMLRPHHCUHQNPN-UHFFFAOYSA-N
MW391.25 g/mol
LogP5.40
Rot. Bonds4

About N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide

N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide (PubChem CID 100828700) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
PubChem CID100828700
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC NameN-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
SMILESCOc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C19H16Cl2N2O3/c1-10-3-4-11(7-13(10)20)15-5-6-16(26-15)19(24)23-18-14(21)8-12(22)9-17(18)25-2/h3-9H,22H2,1-2H3,(H,23,24)
InChIKeyMMLRPHHCUHQNPN-UHFFFAOYSA-N
XLogP5.40
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.25
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 878115
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 100828257
N-(4-amino-2-chloro-6-methoxyphenyl)acetamide
CID 100828458
3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670400
N-(2-amino-4-methoxyphenyl)-5-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
CID 91687544
N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3580369
N-(4-amino-2-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
N-(4-amino-2-chloro-6-methoxyphenyl)-4-iodobenzamide
CID 100828565
N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide
CID 100816682

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide (CID 100828700) is N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide is COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1.
What is the InChIKey of N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide?
The InChIKey is MMLRPHHCUHQNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-10-3-4-11(7-13(10)20)15-5-6-16(26-15)19(24)23-18-14(21)8-12(22)9-17(18)25-2/h3-9H,22H2,1-2H3,(H,23,24).
What are the key properties of N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide?
N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide has a molecular weight of 391.25 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 100828700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).