[1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate

C10H11ClN2O4 — CID 175023396

IUPAC[1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate
SMILESNC(=O)OC(CO)c1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C10H11ClN2O4/c11-7-2-1-5(3-6(7)9(12)15)8(4-14)17-10(13)16/h1-3,8,14H,4H2,(H2,12,15)(H2,13,16)
InChIKeyINBQILDCZGWSLX-UHFFFAOYSA-N
MW258.66 g/mol
LogP0.57
Rot. Bonds4

About [1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate

[1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate (PubChem CID 175023396) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is [1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate.

Molecular Properties

Compound Name[1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate
PubChem CID175023396
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name[1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate
SMILESNC(=O)OC(CO)c1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C10H11ClN2O4/c11-7-2-1-5(3-6(7)9(12)15)8(4-14)17-10(13)16/h1-3,8,14H,4H2,(H2,12,15)(H2,13,16)
InChIKeyINBQILDCZGWSLX-UHFFFAOYSA-N
XLogP0.57
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175035515
5-butan-2-yl-2-chlorobenzamide
CID 129129656
[2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl] carbamate
CID 175211548
[1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate
CID 69369838
[(1R)-1-(3,4-dichlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate
CID 11962451
2-chloro-5-hydroxybenzamide
CID 57422942
methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
CID 133268754
methyl 5-[(1S)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
CID 91825956
2-(4-chlorophenyl)-2-hydroperoxyethanol
CID 25136213
[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 137375869
[1-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-hydroxyethyl] carbamate
CID 89422342
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834

Frequently Asked Questions

What is the IUPAC name of [1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate?
The IUPAC name of [1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate (CID 175023396) is [1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate.
What is the SMILES notation for [1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate?
The canonical SMILES for [1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate is NC(=O)OC(CO)c1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of [1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate?
The InChIKey is INBQILDCZGWSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c11-7-2-1-5(3-6(7)9(12)15)8(4-14)17-10(13)16/h1-3,8,14H,4H2,(H2,12,15)(H2,13,16).
What are the key properties of [1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate?
[1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate has a molecular weight of 258.66 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate is sourced from PubChem (CID 175023396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).