[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

C19H16ClNO4 — CID 2630625

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C19H16ClNO4/c20-13-7-5-12(6-8-13)18(23)15-3-1-2-4-16(15)19(24)25-11-17(22)21-14-9-10-14/h1-8,14H,9-11H2,(H,21,22)
InChIKeyKGNNQTBCOBIZCQ-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.01
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (PubChem CID 2630625) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
PubChem CID2630625
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C19H16ClNO4/c20-13-7-5-12(6-8-13)18(23)15-3-1-2-4-16(15)19(24)25-11-17(22)21-14-9-10-14/h1-8,14H,9-11H2,(H,21,22)
InChIKeyKGNNQTBCOBIZCQ-UHFFFAOYSA-N
XLogP3.01
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2100040
[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate
CID 24531214
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630638
[2-(cyclooctylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
CID 2626623
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2335269
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
2-(4-chlorobenzoyl)-N-cyclopentylbenzamide
CID 11841269
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23793601

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (CID 2630625) is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The InChIKey is KGNNQTBCOBIZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c20-13-7-5-12(6-8-13)18(23)15-3-1-2-4-16(15)19(24)25-11-17(22)21-14-9-10-14/h1-8,14H,9-11H2,(H,21,22).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate has a molecular weight of 357.79 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 2630625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).