3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride

C19H24Cl2N2O3 — CID 120610429

IUPAC3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
SMILESCCOCCOc1ccc(Cl)cc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C19H23ClN2O3.ClH/c1-2-24-11-12-25-18-9-8-15(20)13-17(18)22-19(23)10-7-14-5-3-4-6-16(14)21;/h3-6,8-9,13H,2,7,10-12,21H2,1H3,(H,22,23);1H
InChIKeyMJPIKUDXTXNAHS-UHFFFAOYSA-N
MW399.32 g/mol
LogP4.33
Rot. Bonds9

About 3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride (PubChem CID 120610429) has the molecular formula C19H24Cl2N2O3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
PubChem CID120610429
Molecular FormulaC19H24Cl2N2O3
Molecular Weight399.32 g/mol
Exact Mass398.12
IUPAC Name3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
SMILESCCOCCOc1ccc(Cl)cc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C19H23ClN2O3.ClH/c1-2-24-11-12-25-18-9-8-15(20)13-17(18)22-19(23)10-7-14-5-3-4-6-16(14)21;/h3-6,8-9,13H,2,7,10-12,21H2,1H3,(H,22,23);1H
InChIKeyMJPIKUDXTXNAHS-UHFFFAOYSA-N
XLogP4.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119773164
3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
CID 120608796
3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride
CID 120608637
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
CID 119317513
3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide
CID 54795478
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120609593
2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 120608743
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119317522
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide
CID 119317523
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
3-(3-aminophenyl)-N-[2-(2-ethoxyethoxy)phenyl]propanamide
CID 54795275

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride (CID 120610429) is 3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride is CCOCCOc1ccc(Cl)cc1NC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is MJPIKUDXTXNAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3.ClH/c1-2-24-11-12-25-18-9-8-15(20)13-17(18)22-19(23)10-7-14-5-3-4-6-16(14)21;/h3-6,8-9,13H,2,7,10-12,21H2,1H3,(H,22,23);1H.
What are the key properties of 3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 399.32 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120610429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).