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

C14H14ClNO4 — CID 30804395

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2occc2C)cc1OC
InChIInChI=1S/C14H14ClNO4/c1-8-4-5-20-13(8)14(17)16-10-7-12(19-3)11(18-2)6-9(10)15/h4-7H,1-3H3,(H,16,17)
InChIKeyYCKBVJCUZUBSRJ-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.51
Rot. Bonds4

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

N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide (PubChem CID 30804395) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide
PubChem CID30804395
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2occc2C)cc1OC
InChIInChI=1S/C14H14ClNO4/c1-8-4-5-20-13(8)14(17)16-10-7-12(19-3)11(18-2)6-9(10)15/h4-7H,1-3H3,(H,16,17)
InChIKeyYCKBVJCUZUBSRJ-UHFFFAOYSA-N
XLogP3.51
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-methylfuran-2-carboxamide
CID 34277217
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-3-methylfuran-2-carboxamide
CID 57073332
N-(2-chloro-4,5-dimethoxyphenyl)-5-methylfuran-2-carboxamide
CID 18139943
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-[4-(1,3-dioxoisoindol-2-yl)-2-methoxyphenyl]-3-methylfuran-2-carboxamide
CID 122196127
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
N-(2-chloro-4,5-dimethoxyphenyl)-2-fluoropyridine-4-carboxamide
CID 61294193
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide
CID 56814792
N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide
CID 64917019
N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
CID 63115795

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide (CID 30804395) is N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide is COc1cc(Cl)c(NC(=O)c2occc2C)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide?
The InChIKey is YCKBVJCUZUBSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-8-4-5-20-13(8)14(17)16-10-7-12(19-3)11(18-2)6-9(10)15/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide?
N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide has a molecular weight of 295.72 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 30804395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).