(2-chlorophenyl)methyl 4-(propanoylamino)benzoate

C17H16ClNO3 — CID 902800

IUPAC(2-chlorophenyl)methyl 4-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccc(C(=O)OCc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-2-16(20)19-14-9-7-12(8-10-14)17(21)22-11-13-5-3-4-6-15(13)18/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyMKEXQWZOWQXPBG-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.05
Rot. Bonds5

About (2-chlorophenyl)methyl 4-(propanoylamino)benzoate

(2-chlorophenyl)methyl 4-(propanoylamino)benzoate (PubChem CID 902800) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 4-(propanoylamino)benzoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 4-(propanoylamino)benzoate
PubChem CID902800
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(2-chlorophenyl)methyl 4-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccc(C(=O)OCc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-2-16(20)19-14-9-7-12(8-10-14)17(21)22-11-13-5-3-4-6-15(13)18/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyMKEXQWZOWQXPBG-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 4-(propanoylamino)benzoate?
The IUPAC name of (2-chlorophenyl)methyl 4-(propanoylamino)benzoate (CID 902800) is (2-chlorophenyl)methyl 4-(propanoylamino)benzoate.
What is the SMILES notation for (2-chlorophenyl)methyl 4-(propanoylamino)benzoate?
The canonical SMILES for (2-chlorophenyl)methyl 4-(propanoylamino)benzoate is CCC(=O)Nc1ccc(C(=O)OCc2ccccc2Cl)cc1.
What is the InChIKey of (2-chlorophenyl)methyl 4-(propanoylamino)benzoate?
The InChIKey is MKEXQWZOWQXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-2-16(20)19-14-9-7-12(8-10-14)17(21)22-11-13-5-3-4-6-15(13)18/h3-10H,2,11H2,1H3,(H,19,20).
What are the key properties of (2-chlorophenyl)methyl 4-(propanoylamino)benzoate?
(2-chlorophenyl)methyl 4-(propanoylamino)benzoate has a molecular weight of 317.77 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 4-(propanoylamino)benzoate is sourced from PubChem (CID 902800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).