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

C16H16ClNO2 — CID 64565623

IUPACmethyl 3-(3-chloroanilino)-2-phenylpropanoate
SMILESCOC(=O)C(CNc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-20-16(19)15(12-6-3-2-4-7-12)11-18-14-9-5-8-13(17)10-14/h2-10,15,18H,11H2,1H3
InChIKeySWCYDNFSVXMSOV-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.71
Rot. Bonds5

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

methyl 3-(3-chloroanilino)-2-phenylpropanoate (PubChem CID 64565623) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is methyl 3-(3-chloroanilino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-chloroanilino)-2-phenylpropanoate
PubChem CID64565623
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Namemethyl 3-(3-chloroanilino)-2-phenylpropanoate
SMILESCOC(=O)C(CNc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-20-16(19)15(12-6-3-2-4-7-12)11-18-14-9-5-8-13(17)10-14/h2-10,15,18H,11H2,1H3
InChIKeySWCYDNFSVXMSOV-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(5-chloro-2-fluoroanilino)-2-phenylpropanoate
CID 64566464
methyl 3-(4-chloro-2-fluoroanilino)-2-phenylpropanoate
CID 64561132
methyl 3-(4-methylanilino)-2-phenylpropanoate
CID 64567482
methyl 3-(4-methylsulfanylanilino)-2-phenylpropanoate
CID 64565618
2-amino-3-(3-chloroanilino)propanoic acid
CID 103234190
methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate
CID 64565029
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60896251
methyl 2-phenyl-3-[4-(trifluoromethylsulfonyl)anilino]propanoate
CID 71871507
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
2-acetamido-3-(3-chloroanilino)propanoic acid
CID 64581658
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chloroanilino)-2-phenylpropanoate?
The IUPAC name of methyl 3-(3-chloroanilino)-2-phenylpropanoate (CID 64565623) is methyl 3-(3-chloroanilino)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(3-chloroanilino)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(3-chloroanilino)-2-phenylpropanoate is COC(=O)C(CNc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of methyl 3-(3-chloroanilino)-2-phenylpropanoate?
The InChIKey is SWCYDNFSVXMSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-16(19)15(12-6-3-2-4-7-12)11-18-14-9-5-8-13(17)10-14/h2-10,15,18H,11H2,1H3.
What are the key properties of methyl 3-(3-chloroanilino)-2-phenylpropanoate?
methyl 3-(3-chloroanilino)-2-phenylpropanoate has a molecular weight of 289.76 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chloroanilino)-2-phenylpropanoate is sourced from PubChem (CID 64565623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).