ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate

C19H21ClN2O4 — CID 119805474

IUPACethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate
SMILESCCOC(=O)C(CNC(=O)c1cc(Cl)c(N)cc1OC)c1ccccc1
InChIInChI=1S/C19H21ClN2O4/c1-3-26-19(24)14(12-7-5-4-6-8-12)11-22-18(23)13-9-15(20)16(21)10-17(13)25-2/h4-10,14H,3,11,21H2,1-2H3,(H,22,23)
InChIKeyCXFUFCOJWWFLQV-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.01
Rot. Bonds7

About ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate

ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate (PubChem CID 119805474) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate
PubChem CID119805474
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Nameethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate
SMILESCCOC(=O)C(CNC(=O)c1cc(Cl)c(N)cc1OC)c1ccccc1
InChIInChI=1S/C19H21ClN2O4/c1-3-26-19(24)14(12-7-5-4-6-8-12)11-22-18(23)13-9-15(20)16(21)10-17(13)25-2/h4-10,14H,3,11,21H2,1-2H3,(H,22,23)
InChIKeyCXFUFCOJWWFLQV-UHFFFAOYSA-N
XLogP3.01
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide
CID 119399247
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
4-amino-5-chloro-2-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 119831449
methyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 119778002
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764
4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride
CID 119841843
4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide
CID 119734148
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-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
CID 119719615
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
CID 119835495
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate?
The IUPAC name of ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate (CID 119805474) is ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate.
What is the SMILES notation for ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate?
The canonical SMILES for ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate is CCOC(=O)C(CNC(=O)c1cc(Cl)c(N)cc1OC)c1ccccc1.
What is the InChIKey of ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate?
The InChIKey is CXFUFCOJWWFLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-3-26-19(24)14(12-7-5-4-6-8-12)11-22-18(23)13-9-15(20)16(21)10-17(13)25-2/h4-10,14H,3,11,21H2,1-2H3,(H,22,23).
What are the key properties of ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate?
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate has a molecular weight of 376.84 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate is sourced from PubChem (CID 119805474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).