3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide

C16H17ClN2O2 — CID 61095701

IUPAC3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-2-21-15-8-5-12(9-14(15)18)16(20)19-10-11-3-6-13(17)7-4-11/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyLUDPHTAUXZTEAB-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.25
Rot. Bonds5

About 3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide

3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide (PubChem CID 61095701) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide
PubChem CID61095701
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-2-21-15-8-5-12(9-14(15)18)16(20)19-10-11-3-6-13(17)7-4-11/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyLUDPHTAUXZTEAB-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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

3-amino-N-[(4-bromophenyl)methyl]-4-ethoxybenzamide
CID 61090989
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide
CID 91679833
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 100564569
3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65103916
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide?
The IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide (CID 61095701) is 3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide?
The canonical SMILES for 3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1N.
What is the InChIKey of 3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide?
The InChIKey is LUDPHTAUXZTEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-21-15-8-5-12(9-14(15)18)16(20)19-10-11-3-6-13(17)7-4-11/h3-9H,2,10,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide?
3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide is sourced from PubChem (CID 61095701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).