2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide

C14H14ClNO3 — CID 110618053

IUPAC2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
SMILESCONC(=O)C(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO3/c1-18-16-14(17)13(9-12-3-2-8-19-12)10-4-6-11(15)7-5-10/h2-8,13H,9H2,1H3,(H,16,17)
InChIKeyOBQMLJNNSSGVSY-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide

2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide (PubChem CID 110618053) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
PubChem CID110618053
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
SMILESCONC(=O)C(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO3/c1-18-16-14(17)13(9-12-3-2-8-19-12)10-4-6-11(15)7-5-10/h2-8,13H,9H2,1H3,(H,16,17)
InChIKeyOBQMLJNNSSGVSY-UHFFFAOYSA-N
XLogP2.94
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296194
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propanamide
CID 110296620
2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110616262
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)propanamide
CID 110296570
3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide
CID 110618089
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148182
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 110296237
1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
CID 82312968
1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
CID 47171952

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide (CID 110618053) is 2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide is CONC(=O)C(Cc1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide?
The InChIKey is OBQMLJNNSSGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-18-16-14(17)13(9-12-3-2-8-19-12)10-4-6-11(15)7-5-10/h2-8,13H,9H2,1H3,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide?
2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide has a molecular weight of 279.72 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide is sourced from PubChem (CID 110618053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).