4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide

C13H19ClN2O3 — CID 90103674

IUPAC4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H19ClN2O3/c1-13(2,18)7-16(3)12(17)8-5-9(14)10(15)6-11(8)19-4/h5-6,18H,7,15H2,1-4H3
InChIKeyQFCQCVJPMSFSTL-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.77
Rot. Bonds4

About 4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide

4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide (PubChem CID 90103674) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
PubChem CID90103674
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H19ClN2O3/c1-13(2,18)7-16(3)12(17)8-5-9(14)10(15)6-11(8)19-4/h5-6,18H,7,15H2,1-4H3
InChIKeyQFCQCVJPMSFSTL-UHFFFAOYSA-N
XLogP1.77
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide
CID 119655324
4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride
CID 119691121
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride
CID 119958197
4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 119672646
4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 119802021
4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide
CID 90104796
4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 119814555
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride
CID 119729329
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
3,3-dimethylbutyl 4-amino-5-chloro-2-methoxybenzoate
CID 60733590

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide?
The IUPAC name of 4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide (CID 90103674) is 4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for 4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide is COc1cc(N)c(Cl)cc1C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide?
The InChIKey is QFCQCVJPMSFSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-13(2,18)7-16(3)12(17)8-5-9(14)10(15)6-11(8)19-4/h5-6,18H,7,15H2,1-4H3.
What are the key properties of 4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide?
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide has a molecular weight of 286.76 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 90103674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).