2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide

C15H17ClN2O3 — CID 43088814

IUPAC2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-10(15(19)17-9-12-4-3-7-21-12)18-11-5-6-14(20-2)13(16)8-11/h3-8,10,18H,9H2,1-2H3,(H,17,19)
InChIKeySIKPIRTUWXWAPG-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.06
Rot. Bonds6

About 2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide

2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 43088814) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID43088814
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-10(15(19)17-9-12-4-3-7-21-12)18-11-5-6-14(20-2)13(16)8-11/h3-8,10,18H,9H2,1-2H3,(H,17,19)
InChIKeySIKPIRTUWXWAPG-UHFFFAOYSA-N
XLogP3.06
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 61470316
2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 107573921
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 63333822
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid
CID 7039116
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
3-[[2-(3-chloro-4-methoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54819349
2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 2970667
2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 167977484

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide (CID 43088814) is 2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide is COc1ccc(NC(C)C(=O)NCc2ccco2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is SIKPIRTUWXWAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-10(15(19)17-9-12-4-3-7-21-12)18-11-5-6-14(20-2)13(16)8-11/h3-8,10,18H,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide?
2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 308.76 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 43088814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).