methyl 2-(3-chloroanilino)-2-phenylpropanoate

C16H16ClNO2 — CID 60991426

IUPACmethyl 2-(3-chloroanilino)-2-phenylpropanoate
SMILESCOC(=O)C(C)(Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-16(15(19)20-2,12-7-4-3-5-8-12)18-14-10-6-9-13(17)11-14/h3-11,18H,1-2H3
InChIKeyIPUNLDHKDMTXHR-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.84
Rot. Bonds4

About methyl 2-(3-chloroanilino)-2-phenylpropanoate

methyl 2-(3-chloroanilino)-2-phenylpropanoate (PubChem CID 60991426) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is methyl 2-(3-chloroanilino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3-chloroanilino)-2-phenylpropanoate
PubChem CID60991426
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Namemethyl 2-(3-chloroanilino)-2-phenylpropanoate
SMILESCOC(=O)C(C)(Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-16(15(19)20-2,12-7-4-3-5-8-12)18-14-10-6-9-13(17)11-14/h3-11,18H,1-2H3
InChIKeyIPUNLDHKDMTXHR-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
methyl 2-(2-bromophenyl)-2-(3-chloroanilino)propanoate
CID 60990617
ethyl 2-anilino-2-(3-chlorophenyl)propanoate
CID 60992307
methyl 2-anilino-2-(3-chloro-4-fluorophenyl)propanoate
CID 60990687
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
methyl 2-(3-chlorophenyl)-2-(2-methylanilino)propanoate
CID 60992232
methyl 2-anilino-2-(4-hydroxyphenyl)propanoate
CID 60991506
methyl 2-(3-chloroanilino)-2-methylbutanoate
CID 60990615
methyl 2-(3-chloroanilino)-3,3,3-trifluoro-2-methylpropanoate
CID 106523315
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
2-(3-chloroanilino)-2-(4-ethylphenyl)propanoic acid
CID 60990853

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloroanilino)-2-phenylpropanoate?
The IUPAC name of methyl 2-(3-chloroanilino)-2-phenylpropanoate (CID 60991426) is methyl 2-(3-chloroanilino)-2-phenylpropanoate.
What is the SMILES notation for methyl 2-(3-chloroanilino)-2-phenylpropanoate?
The canonical SMILES for methyl 2-(3-chloroanilino)-2-phenylpropanoate is COC(=O)C(C)(Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of methyl 2-(3-chloroanilino)-2-phenylpropanoate?
The InChIKey is IPUNLDHKDMTXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-16(15(19)20-2,12-7-4-3-5-8-12)18-14-10-6-9-13(17)11-14/h3-11,18H,1-2H3.
What are the key properties of methyl 2-(3-chloroanilino)-2-phenylpropanoate?
methyl 2-(3-chloroanilino)-2-phenylpropanoate has a molecular weight of 289.76 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloroanilino)-2-phenylpropanoate is sourced from PubChem (CID 60991426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).