4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride

C15H18Cl2N2O3 — CID 119958197

IUPAC4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)Cc1ccc(C)o1.Cl
InChIInChI=1S/C15H17ClN2O3.ClH/c1-9-4-5-10(21-9)8-18(2)15(19)11-6-12(16)13(17)7-14(11)20-3;/h4-7H,8,17H2,1-3H3;1H
InChIKeyLWKAWAHIUDZNTR-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.53
Rot. Bonds4

About 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride (PubChem CID 119958197) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride
PubChem CID119958197
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)Cc1ccc(C)o1.Cl
InChIInChI=1S/C15H17ClN2O3.ClH/c1-9-4-5-10(21-9)8-18(2)15(19)11-6-12(16)13(17)7-14(11)20-3;/h4-7H,8,17H2,1-3H3;1H
InChIKeyLWKAWAHIUDZNTR-UHFFFAOYSA-N
XLogP3.53
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
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4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]naphthalene-1-carboxamide
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3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 86906483
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CID 56809035
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CID 54543853
4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride
CID 119813032
4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 119814555
4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride
CID 119774991
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride (CID 119958197) is 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)N(C)Cc1ccc(C)o1.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride?
The InChIKey is LWKAWAHIUDZNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3.ClH/c1-9-4-5-10(21-9)8-18(2)15(19)11-6-12(16)13(17)7-14(11)20-3;/h4-7H,8,17H2,1-3H3;1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride?
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride has a molecular weight of 345.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119958197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).