methyl 5-chloro-2-(2-phenylpropylamino)benzoate

C17H18ClNO2 — CID 43678738

IUPACmethyl 5-chloro-2-(2-phenylpropylamino)benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NCC(C)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-12(13-6-4-3-5-7-13)11-19-16-9-8-14(18)10-15(16)17(20)21-2/h3-10,12,19H,11H2,1-2H3
InChIKeySGSLXOYUMUNOPC-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.34
Rot. Bonds5

About methyl 5-chloro-2-(2-phenylpropylamino)benzoate

methyl 5-chloro-2-(2-phenylpropylamino)benzoate (PubChem CID 43678738) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is methyl 5-chloro-2-(2-phenylpropylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(2-phenylpropylamino)benzoate
PubChem CID43678738
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Namemethyl 5-chloro-2-(2-phenylpropylamino)benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NCC(C)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-12(13-6-4-3-5-7-13)11-19-16-9-8-14(18)10-15(16)17(20)21-2/h3-10,12,19H,11H2,1-2H3
InChIKeySGSLXOYUMUNOPC-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-2-(2,2-dimethoxyethylamino)benzoate
CID 63685157
methyl 2-[[2-(aminomethyl)-3-methylbutyl]amino]-5-chlorobenzoate
CID 107441442
5-chloro-2-methoxy-N-(2-phenylpropyl)aniline
CID 43105776
5-chloro-2-methyl-N-(2-phenylpropyl)aniline
CID 43103911
4-chloro-2-(2-phenylpropylamino)benzenecarbothioamide
CID 104591576
5-amino-2-(2-phenylpropylamino)benzoic acid
CID 104592149
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
CID 7723030
methyl 5-chloro-2-(pentylamino)benzoate
CID 18803223
methyl 3-(2-phenylpropylamino)benzoate
CID 43321749
4-fluoro-3-(2-phenylpropylamino)benzoic acid
CID 43728030
methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189
methyl 3-(4-chloro-2-fluoroanilino)-2-phenylpropanoate
CID 64561132

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(2-phenylpropylamino)benzoate?
The IUPAC name of methyl 5-chloro-2-(2-phenylpropylamino)benzoate (CID 43678738) is methyl 5-chloro-2-(2-phenylpropylamino)benzoate.
What is the SMILES notation for methyl 5-chloro-2-(2-phenylpropylamino)benzoate?
The canonical SMILES for methyl 5-chloro-2-(2-phenylpropylamino)benzoate is COC(=O)c1cc(Cl)ccc1NCC(C)c1ccccc1.
What is the InChIKey of methyl 5-chloro-2-(2-phenylpropylamino)benzoate?
The InChIKey is SGSLXOYUMUNOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(13-6-4-3-5-7-13)11-19-16-9-8-14(18)10-15(16)17(20)21-2/h3-10,12,19H,11H2,1-2H3.
What are the key properties of methyl 5-chloro-2-(2-phenylpropylamino)benzoate?
methyl 5-chloro-2-(2-phenylpropylamino)benzoate has a molecular weight of 303.79 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(2-phenylpropylamino)benzoate is sourced from PubChem (CID 43678738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).