carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate

C10H11ClN2O4 — CID 23292408

IUPACcarbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate
SMILESNC(=O)OC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C10H11ClN2O4/c11-7-4-2-1-3-6(7)8(14)5-13-10(16)17-9(12)15/h1-4,8,14H,5H2,(H2,12,15)(H,13,16)
InChIKeyVTTZXDUGXMSSTA-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.18
Rot. Bonds3

About carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate

carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate (PubChem CID 23292408) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Namecarbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate
PubChem CID23292408
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Namecarbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate
SMILESNC(=O)OC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C10H11ClN2O4/c11-7-4-2-1-3-6(7)8(14)5-13-10(16)17-9(12)15/h1-4,8,14H,5H2,(H2,12,15)(H,13,16)
InChIKeyVTTZXDUGXMSSTA-UHFFFAOYSA-N
XLogP1.18
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate
CID 23292412
3-amino-N-[2-(2-chlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 154759854
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 111453913
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
CID 111450915
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181
[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
CID 59063100
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 111451028
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036

Frequently Asked Questions

What is the IUPAC name of carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate?
The IUPAC name of carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate (CID 23292408) is carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate?
The canonical SMILES for carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate is NC(=O)OC(=O)NCC(O)c1ccccc1Cl.
What is the InChIKey of carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate?
The InChIKey is VTTZXDUGXMSSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c11-7-4-2-1-3-6(7)8(14)5-13-10(16)17-9(12)15/h1-4,8,14H,5H2,(H2,12,15)(H,13,16).
What are the key properties of carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate?
carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate has a molecular weight of 258.66 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 23292408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).