4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide

C14H19ClN2O3 — CID 119814555

IUPAC4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)CC1CCOC1
InChIInChI=1S/C14H19ClN2O3/c1-17(7-9-3-4-20-8-9)14(18)10-5-11(15)12(16)6-13(10)19-2/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyVMYCJPJQPQMURU-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.04
Rot. Bonds4

About 4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide

4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 119814555) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID119814555
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)CC1CCOC1
InChIInChI=1S/C14H19ClN2O3/c1-17(7-9-3-4-20-8-9)14(18)10-5-11(15)12(16)6-13(10)19-2/h5-6,9H,3-4,7-8,16H2,1-2H3
InChIKeyVMYCJPJQPQMURU-UHFFFAOYSA-N
XLogP2.04
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.04
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

oxolan-3-ylmethyl 4-amino-5-chloro-2-methoxybenzoate
CID 61238863
4-chloro-1-hydroxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-2-carboxamide
CID 96562055
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride
CID 119729329
6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103543140
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride
CID 119958197
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride
CID 119691121
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 119801767

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide (CID 119814555) is 4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide is COc1cc(N)c(Cl)cc1C(=O)N(C)CC1CCOC1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is VMYCJPJQPQMURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-17(7-9-3-4-20-8-9)14(18)10-5-11(15)12(16)6-13(10)19-2/h5-6,9H,3-4,7-8,16H2,1-2H3.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 298.77 g/mol, XLogP of 2.04, 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-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 119814555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).