methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate

C16H17ClN2O5 — CID 119731058

IUPACmethyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(Cl)c(N)cc2OC)oc1C
InChIInChI=1S/C16H17ClN2O5/c1-8-10(16(21)23-3)4-9(24-8)7-19-15(20)11-5-12(17)13(18)6-14(11)22-2/h4-6H,7,18H2,1-3H3,(H,19,20)
InChIKeyCFXHYMANKGTTDQ-UHFFFAOYSA-N
MW352.77 g/mol
LogP2.55
Rot. Bonds5

About methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 119731058) has the molecular formula C16H17ClN2O5 and a molecular weight of 352.77 g/mol. Its IUPAC name is methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID119731058
Molecular FormulaC16H17ClN2O5
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Namemethyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2cc(Cl)c(N)cc2OC)oc1C
InChIInChI=1S/C16H17ClN2O5/c1-8-10(16(21)23-3)4-9(24-8)7-19-15(20)11-5-12(17)13(18)6-14(11)22-2/h4-6H,7,18H2,1-3H3,(H,19,20)
InChIKeyCFXHYMANKGTTDQ-UHFFFAOYSA-N
XLogP2.55
TPSA103.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
4-amino-5-chloro-2-methoxy-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]benzamide
CID 119811646
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
CID 119835495
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
CID 119789400
methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119293494
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 119734954
methyl 5-[[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55612422
4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide
CID 119821115
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate (CID 119731058) is methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNC(=O)c2cc(Cl)c(N)cc2OC)oc1C.
What is the InChIKey of methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is CFXHYMANKGTTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5/c1-8-10(16(21)23-3)4-9(24-8)7-19-15(20)11-5-12(17)13(18)6-14(11)22-2/h4-6H,7,18H2,1-3H3,(H,19,20).
What are the key properties of methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 352.77 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 119731058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).