propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate

C12H15ClN2O3 — CID 110191719

IUPACpropan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate
SMILESCC(C)OC(=O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-8(2)18-11(16)7-14-12(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H2,14,15,17)
InChIKeyOVPDRGFEJXACPR-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.41
Rot. Bonds4

About propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate

propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate (PubChem CID 110191719) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate
PubChem CID110191719
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Namepropan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate
SMILESCC(C)OC(=O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-8(2)18-11(16)7-14-12(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H2,14,15,17)
InChIKeyOVPDRGFEJXACPR-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110671034
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884379
4-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 81066307
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
propan-2-yl 3-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]propanoate
CID 86856293
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate?
The IUPAC name of propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate (CID 110191719) is propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate?
The canonical SMILES for propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate is CC(C)OC(=O)CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate?
The InChIKey is OVPDRGFEJXACPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(2)18-11(16)7-14-12(17)15-10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H2,14,15,17).
What are the key properties of propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate?
propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate has a molecular weight of 270.72 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate is sourced from PubChem (CID 110191719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).