N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide

C15H17ClN2O3 — CID 28534738

IUPACN-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCCOCc1ccco1
InChIInChI=1S/C15H17ClN2O3/c16-11-5-6-13(17)14(9-11)18-15(19)4-2-7-20-10-12-3-1-8-21-12/h1,3,5-6,8-9H,2,4,7,10,17H2,(H,18,19)
InChIKeyLQNDVKPIFWYYOV-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.45
Rot. Bonds7

About N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide

N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide (PubChem CID 28534738) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide
PubChem CID28534738
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC NameN-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCCOCc1ccco1
InChIInChI=1S/C15H17ClN2O3/c16-11-5-6-13(17)14(9-11)18-15(19)4-2-7-20-10-12-3-1-8-21-12/h1,3,5-6,8-9H,2,4,7,10,17H2,(H,18,19)
InChIKeyLQNDVKPIFWYYOV-UHFFFAOYSA-N
XLogP3.45
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.45
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'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(3-aminophenyl)-3-(furan-2-ylmethoxy)propanamide
CID 16795647
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide
CID 87002587
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide
CID 65124536
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181
N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
CID 43127087
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide (CID 28534738) is N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide is Nc1ccc(Cl)cc1NC(=O)CCCOCc1ccco1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide?
The InChIKey is LQNDVKPIFWYYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c16-11-5-6-13(17)14(9-11)18-15(19)4-2-7-20-10-12-3-1-8-21-12/h1,3,5-6,8-9H,2,4,7,10,17H2,(H,18,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide?
N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide has a molecular weight of 308.76 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide is sourced from PubChem (CID 28534738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).