ethyl 2-anilino-2-(3-chlorophenyl)propanoate

C17H18ClNO2 — CID 60992307

IUPACethyl 2-anilino-2-(3-chlorophenyl)propanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-3-21-16(20)17(2,13-8-7-9-14(18)12-13)19-15-10-5-4-6-11-15/h4-12,19H,3H2,1-2H3
InChIKeyKQKUFMNUMQVGDC-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.23
Rot. Bonds5

About ethyl 2-anilino-2-(3-chlorophenyl)propanoate

ethyl 2-anilino-2-(3-chlorophenyl)propanoate (PubChem CID 60992307) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is ethyl 2-anilino-2-(3-chlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-anilino-2-(3-chlorophenyl)propanoate
PubChem CID60992307
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Nameethyl 2-anilino-2-(3-chlorophenyl)propanoate
SMILESCCOC(=O)C(C)(Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-3-21-16(20)17(2,13-8-7-9-14(18)12-13)19-15-10-5-4-6-11-15/h4-12,19H,3H2,1-2H3
InChIKeyKQKUFMNUMQVGDC-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-chloroanilino)-2-phenylpropanoate
CID 60991426
ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate
CID 59200602
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
CID 117049814
ethyl 2-(3-chlorophenyl)-2-(methylamino)butanoate
CID 60788391
methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
CID 60992232
ethyl 2-(3-chlorophenyl)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoate
CID 175151342
methyl 2-anilino-2-(3-chloro-4-fluorophenyl)propanoate
CID 60990687
ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
CID 60788385
ethyl 2-anilino-2-(5-bromofuran-2-yl)propanoate
CID 104653374
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-2-(3-chlorophenyl)propanoate?
The IUPAC name of ethyl 2-anilino-2-(3-chlorophenyl)propanoate (CID 60992307) is ethyl 2-anilino-2-(3-chlorophenyl)propanoate.
What is the SMILES notation for ethyl 2-anilino-2-(3-chlorophenyl)propanoate?
The canonical SMILES for ethyl 2-anilino-2-(3-chlorophenyl)propanoate is CCOC(=O)C(C)(Nc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of ethyl 2-anilino-2-(3-chlorophenyl)propanoate?
The InChIKey is KQKUFMNUMQVGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-21-16(20)17(2,13-8-7-9-14(18)12-13)19-15-10-5-4-6-11-15/h4-12,19H,3H2,1-2H3.
What are the key properties of ethyl 2-anilino-2-(3-chlorophenyl)propanoate?
ethyl 2-anilino-2-(3-chlorophenyl)propanoate has a molecular weight of 303.79 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-2-(3-chlorophenyl)propanoate is sourced from PubChem (CID 60992307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).