2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide

C16H17ClN2O2 — CID 81395966

IUPAC2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-21-14-4-2-3-13(18)15(14)16(20)19-10-9-11-5-7-12(17)8-6-11/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyNGZIGZHIQLOOMA-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.90
Rot. Bonds5

About 2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide

2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide (PubChem CID 81395966) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
PubChem CID81395966
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-21-14-4-2-3-13(18)15(14)16(20)19-10-9-11-5-7-12(17)8-6-11/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyNGZIGZHIQLOOMA-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.90
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

4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
CID 104782528
2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
CID 81421132
2-amino-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 81420546
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-6-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 81395621
2-amino-6-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420398
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431580
methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate
CID 107341908

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide?
The IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide (CID 81395966) is 2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide is COc1cccc(N)c1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide?
The InChIKey is NGZIGZHIQLOOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-14-4-2-3-13(18)15(14)16(20)19-10-9-11-5-7-12(17)8-6-11/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide?
2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide has a molecular weight of 304.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide is sourced from PubChem (CID 81395966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).