propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate

C17H18ClNO2 — CID 43231429

IUPACpropan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate
SMILESCC(C)OC(=O)c1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-12(2)21-17(20)13-7-9-15(10-8-13)19-11-14-5-3-4-6-16(14)18/h3-10,12,19H,11H2,1-2H3
InChIKeyLZAFYHWMDUHNJE-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.52
Rot. Bonds5

About propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate

propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate (PubChem CID 43231429) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate
PubChem CID43231429
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Namepropan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate
SMILESCC(C)OC(=O)c1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-12(2)21-17(20)13-7-9-15(10-8-13)19-11-14-5-3-4-6-16(14)18/h3-10,12,19H,11H2,1-2H3
InChIKeyLZAFYHWMDUHNJE-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-[(2-bromophenyl)methylamino]benzoate
CID 43231560
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate
CID 43684030
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-iodobenzoate
CID 55417735
3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide
CID 71048980
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 46625347
ethyl 4-[(3-chloro-2-hydroxyphenyl)methylamino]benzoate
CID 115951048
4-[(2-chlorophenyl)methylamino]phenol
CID 18778398
methyl 4-[[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108962747
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 46630031
propan-2-yl 4-(butylamino)benzoate
CID 43228867

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate?
The IUPAC name of propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate (CID 43231429) is propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate?
The canonical SMILES for propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate is CC(C)OC(=O)c1ccc(NCc2ccccc2Cl)cc1.
What is the InChIKey of propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate?
The InChIKey is LZAFYHWMDUHNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12(2)21-17(20)13-7-9-15(10-8-13)19-11-14-5-3-4-6-16(14)18/h3-10,12,19H,11H2,1-2H3.
What are the key properties of propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate?
propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate has a molecular weight of 303.79 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate is sourced from PubChem (CID 43231429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).