4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide

C20H26ClN3O2 — CID 119399247

IUPAC4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide
SMILESCCN(CC)C(CNC(=O)c1cc(Cl)c(N)cc1OC)c1ccccc1
InChIInChI=1S/C20H26ClN3O2/c1-4-24(5-2)18(14-9-7-6-8-10-14)13-23-20(25)15-11-16(21)17(22)12-19(15)26-3/h6-12,18H,4-5,13,22H2,1-3H3,(H,23,25)
InChIKeyFGLFUMQDEQYCOM-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.74
Rot. Bonds8

About 4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide

4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide (PubChem CID 119399247) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide
PubChem CID119399247
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide
SMILESCCN(CC)C(CNC(=O)c1cc(Cl)c(N)cc1OC)c1ccccc1
InChIInChI=1S/C20H26ClN3O2/c1-4-24(5-2)18(14-9-7-6-8-10-14)13-23-20(25)15-11-16(21)17(22)12-19(15)26-3/h6-12,18H,4-5,13,22H2,1-3H3,(H,23,25)
InChIKeyFGLFUMQDEQYCOM-UHFFFAOYSA-N
XLogP3.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate
CID 119805474
4-amino-5-chloro-2-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 119831449
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764
4-amino-5-chloro-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 45275446
4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride
CID 119841843
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
CID 119835495
4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide
CID 119734148
4-amino-5-chloro-N-[[3-(diethylaminomethyl)phenyl]methyl]-2-methoxybenzamide;dihydrochloride
CID 119847474
4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
CID 119719615
N-[2-(4-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide
CID 112503768

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide (CID 119399247) is 4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide is CCN(CC)C(CNC(=O)c1cc(Cl)c(N)cc1OC)c1ccccc1.
What is the InChIKey of 4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide?
The InChIKey is FGLFUMQDEQYCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-4-24(5-2)18(14-9-7-6-8-10-14)13-23-20(25)15-11-16(21)17(22)12-19(15)26-3/h6-12,18H,4-5,13,22H2,1-3H3,(H,23,25).
What are the key properties of 4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide has a molecular weight of 375.90 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide is sourced from PubChem (CID 119399247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).