4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide

C11H15ClN2O2 — CID 70318142

IUPAC4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)C
InChIInChI=1S/C11H15ClN2O2/c1-6(2)14-11(15)7-4-8(12)9(13)5-10(7)16-3/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyRIATUSHFLKBFQC-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.07
Rot. Bonds3

About 4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide

4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 70318142) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
PubChem CID70318142
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)C
InChIInChI=1S/C11H15ClN2O2/c1-6(2)14-11(15)7-4-8(12)9(13)5-10(7)16-3/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyRIATUSHFLKBFQC-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577
4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 119801767
4-amino-5-chloro-2-methoxy-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119730378
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-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 119898137
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764
4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide
CID 119804080
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide (CID 70318142) is 4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide is COc1cc(N)c(Cl)cc1C(=O)NC(C)C.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide?
The InChIKey is RIATUSHFLKBFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-6(2)14-11(15)7-4-8(12)9(13)5-10(7)16-3/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide?
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 242.71 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 70318142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).