N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate

C16H19ClN2O3 — CID 21154135

IUPACN-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate
SMILESCCOc1ccc(CC(=O)Nc2cc(Cl)ccc2N)cc1.O
InChIInChI=1S/C16H17ClN2O2.H2O/c1-2-21-13-6-3-11(4-7-13)9-16(20)19-15-10-12(17)5-8-14(15)18;/h3-8,10H,2,9,18H2,1H3,(H,19,20);1H2
InChIKeyVNGXOSIGNSMYKI-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.68
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate

N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate (PubChem CID 21154135) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate
PubChem CID21154135
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate
SMILESCCOc1ccc(CC(=O)Nc2cc(Cl)ccc2N)cc1.O
InChIInChI=1S/C16H17ClN2O2.H2O/c1-2-21-13-6-3-11(4-7-13)9-16(20)19-15-10-12(17)5-8-14(15)18;/h3-8,10H,2,9,18H2,1H3,(H,19,20);1H2
InChIKeyVNGXOSIGNSMYKI-UHFFFAOYSA-N
XLogP2.68
TPSA95.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.68
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

N-(2-aminophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866981
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
N-(3-amino-4-chlorophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866983
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
CID 52892061
2-(4-chlorophenyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 31467291
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
CID 43444676
N-(2,5-dichlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024067
2-(4-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119773164
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
N-(6-amino-2-methyl-3-pyridinyl)-2-(4-ethoxyphenyl)acetamide
CID 82331036

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate (CID 21154135) is N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate is CCOc1ccc(CC(=O)Nc2cc(Cl)ccc2N)cc1.O.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate?
The InChIKey is VNGXOSIGNSMYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2.H2O/c1-2-21-13-6-3-11(4-7-13)9-16(20)19-15-10-12(17)5-8-14(15)18;/h3-8,10H,2,9,18H2,1H3,(H,19,20);1H2.
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate?
N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate has a molecular weight of 322.79 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate is sourced from PubChem (CID 21154135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).