N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide

C15H16ClNO4 — CID 17172995

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(C)oc2C)cc1Cl
InChIInChI=1S/C15H16ClNO4/c1-8-5-10(9(2)21-8)15(18)17-12-6-11(16)13(19-3)7-14(12)20-4/h5-7H,1-4H3,(H,17,18)
InChIKeyUEOHYLPILRLTQG-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.82
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 17172995) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID17172995
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc(C)oc2C)cc1Cl
InChIInChI=1S/C15H16ClNO4/c1-8-5-10(9(2)21-8)15(18)17-12-6-11(16)13(19-3)7-14(12)20-4/h5-7H,1-4H3,(H,17,18)
InChIKeyUEOHYLPILRLTQG-UHFFFAOYSA-N
XLogP3.82
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(4-amino-2-methoxyphenyl)-2,5-dimethylfuran-3-carboxamide
CID 16790725
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17422602
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 66464599
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715402
4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid
CID 174451104

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide (CID 17172995) is N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide is COc1cc(OC)c(NC(=O)c2cc(C)oc2C)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is UEOHYLPILRLTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-8-5-10(9(2)21-8)15(18)17-12-6-11(16)13(19-3)7-14(12)20-4/h5-7H,1-4H3,(H,17,18).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 17172995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).