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

C16H17ClN2O2 — CID 107074472

IUPAC4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-19(10-12-5-3-4-6-13(12)17)16(21)11-7-8-14(18)15(20)9-11/h3-9,20H,2,10,18H2,1H3
InChIKeyWCXZGUNDTSFPDA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.29
Rot. Bonds4

About 4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide

4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide (PubChem CID 107074472) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
PubChem CID107074472
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-19(10-12-5-3-4-6-13(12)17)16(21)11-7-8-14(18)15(20)9-11/h3-9,20H,2,10,18H2,1H3
InChIKeyWCXZGUNDTSFPDA-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': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
N-[(2-chlorophenyl)methyl]-N-ethyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103612417
N-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 112817412
4-amino-3-hydroxy-N,N-dipropylbenzamide
CID 22411148
(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate
CID 61277658
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide
CID 60566746
4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107074866
4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 78853144
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide (CID 107074472) is 4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide is CCN(Cc1ccccc1Cl)C(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide?
The InChIKey is WCXZGUNDTSFPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-19(10-12-5-3-4-6-13(12)17)16(21)11-7-8-14(18)15(20)9-11/h3-9,20H,2,10,18H2,1H3.
What are the key properties of 4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide?
4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-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 4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide is sourced from PubChem (CID 107074472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).