N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide

C16H17ClN2O2 — CID 43376858

IUPACN-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide
SMILESNc1ccc(Cl)c(NC(=O)COCCc2ccccc2)c1
InChIInChI=1S/C16H17ClN2O2/c17-14-7-6-13(18)10-15(14)19-16(20)11-21-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyUHXMTUFYQRMJAC-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.12
Rot. Bonds6

About N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide

N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide (PubChem CID 43376858) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide
PubChem CID43376858
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide
SMILESNc1ccc(Cl)c(NC(=O)COCCc2ccccc2)c1
InChIInChI=1S/C16H17ClN2O2/c17-14-7-6-13(18)10-15(14)19-16(20)11-21-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyUHXMTUFYQRMJAC-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
CID 43376685
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
CID 120569249
2-[2-(2-aminophenyl)ethoxy]-N-(2-chlorophenyl)acetamide
CID 102902564
N-(5-amino-2-fluorophenyl)-2-phenylmethoxyacetamide
CID 16785782
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 43376874
2-phenylethyl 4-(2,5-dichloroanilino)-4-oxobutanoate
CID 4946830
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006235
N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
CID 114988878
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide (CID 43376858) is N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide is Nc1ccc(Cl)c(NC(=O)COCCc2ccccc2)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide?
The InChIKey is UHXMTUFYQRMJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-14-7-6-13(18)10-15(14)19-16(20)11-21-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2,(H,19,20).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide?
N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide has a molecular weight of 304.78 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide is sourced from PubChem (CID 43376858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).