N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide

C18H14Cl2N2O2 — CID 100828257

IUPACN-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESCc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-8-12(21)3-5-15(10)22-18(23)17-7-6-16(24-17)11-2-4-13(19)14(20)9-11/h2-9H,21H2,1H3,(H,22,23)
InChIKeyJPBMPIHVJSBJPV-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.40
Rot. Bonds3

About N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide

N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 100828257) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
PubChem CID100828257
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC NameN-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESCc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C18H14Cl2N2O2/c1-10-8-12(21)3-5-15(10)22-18(23)17-7-6-16(24-17)11-2-4-13(19)14(20)9-11/h2-9H,21H2,1H3,(H,22,23)
InChIKeyJPBMPIHVJSBJPV-UHFFFAOYSA-N
XLogP5.40
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide
CID 17117529
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3580369
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045442
5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 4309569
5-(3-chlorophenyl)-N-(2,4-dimethylphenyl)furan-2-carboxamide
CID 880542
N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 23819573
5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 2237354
5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide
CID 23995235
N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 100828700

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide (CID 100828257) is N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide is Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is JPBMPIHVJSBJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-10-8-12(21)3-5-15(10)22-18(23)17-7-6-16(24-17)11-2-4-13(19)14(20)9-11/h2-9H,21H2,1H3,(H,22,23).
What are the key properties of N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 361.23 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 100828257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).