methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate

C16H16ClNO5 — CID 31710740

IUPACmethyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2ccc(O)c(Cl)c2)oc1C
InChIInChI=1S/C16H16ClNO5/c1-9-12(16(21)22-3)7-11(23-9)8-18(2)15(20)10-4-5-14(19)13(17)6-10/h4-7,19H,8H2,1-3H3
InChIKeyGYWOXBQKDJIZEW-UHFFFAOYSA-N
MW337.76 g/mol
LogP3.01
Rot. Bonds4

About methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 31710740) has the molecular formula C16H16ClNO5 and a molecular weight of 337.76 g/mol. Its IUPAC name is methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID31710740
Molecular FormulaC16H16ClNO5
Molecular Weight337.76 g/mol
Exact Mass337.07
IUPAC Namemethyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2ccc(O)c(Cl)c2)oc1C
InChIInChI=1S/C16H16ClNO5/c1-9-12(16(21)22-3)7-11(23-9)8-18(2)15(20)10-4-5-14(19)13(17)6-10/h4-7,19H,8H2,1-3H3
InChIKeyGYWOXBQKDJIZEW-UHFFFAOYSA-N
XLogP3.01
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate
CID 34481720
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 56545761
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
4-[[[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122019842
methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 31712108
methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
CID 134037285
5-[[(4-fluoro-3-methoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522880
methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
methyl 5-[[(2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 55461963
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 31710740) is methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)c2ccc(O)c(Cl)c2)oc1C.
What is the InChIKey of methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is GYWOXBQKDJIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5/c1-9-12(16(21)22-3)7-11(23-9)8-18(2)15(20)10-4-5-14(19)13(17)6-10/h4-7,19H,8H2,1-3H3.
What are the key properties of methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 337.76 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 31710740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).