[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate

C19H19ClN2O4 — CID 8601672

IUPAC[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate
SMILESCCNC(=O)[C@@H](C)OC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-3-21-17(23)12(2)26-19(25)15-6-4-5-7-16(15)22-18(24)13-8-10-14(20)11-9-13/h4-12H,3H2,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1
InChIKeyDPAHBZJRFHZDHB-GFCCVEGCSA-N
MW374.82 g/mol
LogP3.27
Rot. Bonds6

About [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate (PubChem CID 8601672) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate
PubChem CID8601672
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate
SMILESCCNC(=O)[C@@H](C)OC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O4/c1-3-21-17(23)12(2)26-19(25)15-6-4-5-7-16(15)22-18(24)13-8-10-14(20)11-9-13/h4-12H,3H2,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1
InChIKeyDPAHBZJRFHZDHB-GFCCVEGCSA-N
XLogP3.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate with MolForge

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Related Compounds

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 9412610
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221116
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 33275819
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 9412570
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate
CID 126184796
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 8602840
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797305
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797302
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4103293
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8537822
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011
3,5-dichloro-N-[2-(ethylcarbamoyl)phenyl]benzamide
CID 17133523

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate?
The IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate (CID 8601672) is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate?
The canonical SMILES for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate is CCNC(=O)[C@@H](C)OC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate?
The InChIKey is DPAHBZJRFHZDHB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-3-21-17(23)12(2)26-19(25)15-6-4-5-7-16(15)22-18(24)13-8-10-14(20)11-9-13/h4-12H,3H2,1-2H3,(H,21,23)(H,22,24)/t12-/m1/s1.
What are the key properties of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate?
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate has a molecular weight of 374.82 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 8601672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).