[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate

C18H15ClN2O5 — CID 16540386

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
SMILESCC(OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C18H15ClN2O5/c1-10(16(23)21-18(20)25)26-17(24)14-5-3-2-4-13(14)15(22)11-6-8-12(19)9-7-11/h2-10H,1H3,(H3,20,21,23,25)
InChIKeyKKNMNVCWNKXEOR-UHFFFAOYSA-N
MW374.78 g/mol
LogP2.31
Rot. Bonds5

About [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate

[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate (PubChem CID 16540386) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
PubChem CID16540386
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
SMILESCC(OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C18H15ClN2O5/c1-10(16(23)21-18(20)25)26-17(24)14-5-3-2-4-13(14)15(22)11-6-8-12(19)9-7-11/h2-10H,1H3,(H3,20,21,23,25)
InChIKeyKKNMNVCWNKXEOR-UHFFFAOYSA-N
XLogP2.31
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 26732079
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 97066649
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797960
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-amino-5-chlorobenzoate
CID 60626647
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7865529
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 46790569
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 2520636
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 4802993
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 16522008

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate (CID 16540386) is [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate is CC(OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate?
The InChIKey is KKNMNVCWNKXEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c1-10(16(23)21-18(20)25)26-17(24)14-5-3-2-4-13(14)15(22)11-6-8-12(19)9-7-11/h2-10H,1H3,(H3,20,21,23,25).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate has a molecular weight of 374.78 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 16540386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).