5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide

C15H17ClN2O3 — CID 91687739

IUPAC5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(-c2ccc(N)cc2Cl)o1
InChIInChI=1S/C15H17ClN2O3/c1-20-8-2-7-18-15(19)14-6-5-13(21-14)11-4-3-10(17)9-12(11)16/h3-6,9H,2,7-8,17H2,1H3,(H,18,19)
InChIKeySDKSAQWUXREXRT-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.95
Rot. Bonds6

About 5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide

5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide (PubChem CID 91687739) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
PubChem CID91687739
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(-c2ccc(N)cc2Cl)o1
InChIInChI=1S/C15H17ClN2O3/c1-20-8-2-7-18-15(19)14-6-5-13(21-14)11-4-3-10(17)9-12(11)16/h3-6,9H,2,7-8,17H2,1H3,(H,18,19)
InChIKeySDKSAQWUXREXRT-UHFFFAOYSA-N
XLogP2.95
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 91687732
5-(2-aminophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687714
5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide
CID 3764379
N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 56812733
methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate
CID 134014900
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
5-(4-amino-2-chlorophenyl)-N-methyl-N-phenylfuran-2-carboxamide
CID 91679615
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
methyl 5-(5-amino-2-chlorophenyl)furan-2-carboxylate
CID 16762246
N-(4-amino-2-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
(Z)-3-(4-amino-2-chloroanilino)-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 108836632

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide?
The IUPAC name of 5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide (CID 91687739) is 5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide is COCCCNC(=O)c1ccc(-c2ccc(N)cc2Cl)o1.
What is the InChIKey of 5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide?
The InChIKey is SDKSAQWUXREXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-20-8-2-7-18-15(19)14-6-5-13(21-14)11-4-3-10(17)9-12(11)16/h3-6,9H,2,7-8,17H2,1H3,(H,18,19).
What are the key properties of 5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide?
5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide is sourced from PubChem (CID 91687739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).