2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide

C16H17ClN2O2 — CID 107074471

IUPAC2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C16H17ClN2O2/c1-2-19(10-11-4-3-5-12(17)8-11)16(21)14-9-13(20)6-7-15(14)18/h3-9,20H,2,10,18H2,1H3
InChIKeyDCSXULLUDJYGCY-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.29
Rot. Bonds4

About 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide

2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide (PubChem CID 107074471) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
PubChem CID107074471
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C16H17ClN2O2/c1-2-19(10-11-4-3-5-12(17)8-11)16(21)14-9-13(20)6-7-15(14)18/h3-9,20H,2,10,18H2,1H3
InChIKeyDCSXULLUDJYGCY-UHFFFAOYSA-N
XLogP3.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61105036
N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
CID 106500076
3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61104847
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide
CID 61106536
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide
CID 107358643
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717535
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107074115
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide (CID 107074471) is 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide is CCN(Cc1cccc(Cl)c1)C(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide?
The InChIKey is DCSXULLUDJYGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-19(10-11-4-3-5-12(17)8-11)16(21)14-9-13(20)6-7-15(14)18/h3-9,20H,2,10,18H2,1H3.
What are the key properties of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide?
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide is sourced from PubChem (CID 107074471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).