4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide

C16H17ClN2O2 — CID 61114074

IUPAC4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-19(9-10-21-13-5-3-2-4-6-13)16(20)14-8-7-12(18)11-15(14)17/h2-8,11H,9-10,18H2,1H3
InChIKeyZNWHNBWHVCWOIV-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.07
Rot. Bonds5

About 4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide

4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide (PubChem CID 61114074) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
PubChem CID61114074
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-19(9-10-21-13-5-3-2-4-6-13)16(20)14-8-7-12(18)11-15(14)17/h2-8,11H,9-10,18H2,1H3
InChIKeyZNWHNBWHVCWOIV-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 55605627
2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 134028048
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
methyl 4-[(4-amino-2-chlorobenzoyl)-methylamino]butanoate
CID 61109630
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 103891558
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide (CID 61114074) is 4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide is CN(CCOc1ccccc1)C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is ZNWHNBWHVCWOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-19(9-10-21-13-5-3-2-4-6-13)16(20)14-8-7-12(18)11-15(14)17/h2-8,11H,9-10,18H2,1H3.
What are the key properties of 4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide?
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 61114074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).