[2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid

C11H13ClN2O4 — CID 175407136

IUPAC[2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid
SMILESCC(OC(N)=O)C(NC(=O)O)c1ccccc1Cl
InChIInChI=1S/C11H13ClN2O4/c1-6(18-10(13)15)9(14-11(16)17)7-4-2-3-5-8(7)12/h2-6,9,14H,1H3,(H2,13,15)(H,16,17)
InChIKeyJKGYJLSIORBLKW-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.13
Rot. Bonds4

About [2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid

[2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid (PubChem CID 175407136) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is [2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid.

Molecular Properties

Compound Name[2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid
PubChem CID175407136
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name[2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid
SMILESCC(OC(N)=O)C(NC(=O)O)c1ccccc1Cl
InChIInChI=1S/C11H13ClN2O4/c1-6(18-10(13)15)9(14-11(16)17)7-4-2-3-5-8(7)12/h2-6,9,14H,1H3,(H2,13,15)(H,16,17)
InChIKeyJKGYJLSIORBLKW-UHFFFAOYSA-N
XLogP2.13
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
[1-(2-chlorophenyl)-2-methoxybutyl]carbamic acid
CID 175407275
[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
CID 56596269
[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium
CID 147632611
[(1S)-1-(2-chlorophenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570838
[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate
CID 144705888
carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate
CID 23292412
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
CID 107316028
2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119327061
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
[(S)-(2-chlorophenyl)-phenylmethyl]urea
CID 871468

Frequently Asked Questions

What is the IUPAC name of [2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid?
The IUPAC name of [2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid (CID 175407136) is [2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid.
What is the SMILES notation for [2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid?
The canonical SMILES for [2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid is CC(OC(N)=O)C(NC(=O)O)c1ccccc1Cl.
What is the InChIKey of [2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid?
The InChIKey is JKGYJLSIORBLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-6(18-10(13)15)9(14-11(16)17)7-4-2-3-5-8(7)12/h2-6,9,14H,1H3,(H2,13,15)(H,16,17).
What are the key properties of [2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid?
[2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid has a molecular weight of 272.69 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid is sourced from PubChem (CID 175407136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).