N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide

C15H15ClN2O5 — CID 46450348

IUPACN-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)CNC(=O)c2ccoc2)cc1Cl
InChIInChI=1S/C15H15ClN2O5/c1-21-12-6-13(22-2)11(5-10(12)16)18-14(19)7-17-15(20)9-3-4-23-8-9/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYFLKPPIRMLZGIT-UHFFFAOYSA-N
MW338.75 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide

N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide (PubChem CID 46450348) has the molecular formula C15H15ClN2O5 and a molecular weight of 338.75 g/mol. Its IUPAC name is N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide
PubChem CID46450348
Molecular FormulaC15H15ClN2O5
Molecular Weight338.75 g/mol
Exact Mass338.07
IUPAC NameN-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)CNC(=O)c2ccoc2)cc1Cl
InChIInChI=1S/C15H15ClN2O5/c1-21-12-6-13(22-2)11(5-10(12)16)18-14(19)7-17-15(20)9-3-4-23-8-9/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYFLKPPIRMLZGIT-UHFFFAOYSA-N
XLogP2.32
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 36542894
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 113001595
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112998400
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(5-chloro-2,4-dimethoxyphenyl)-3-oxo-3-phenylpropanamide
CID 2220274
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
2-(benzhydrylamino)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24565249
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]furan-3-carboxamide
CID 38629741
N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
CID 110792956

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide (CID 46450348) is N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide is COc1cc(OC)c(NC(=O)CNC(=O)c2ccoc2)cc1Cl.
What is the InChIKey of N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide?
The InChIKey is YFLKPPIRMLZGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5/c1-21-12-6-13(22-2)11(5-10(12)16)18-14(19)7-17-15(20)9-3-4-23-8-9/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide?
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide has a molecular weight of 338.75 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 46450348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).