2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate

C11H13ClN2O4 — CID 79349658

IUPAC2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate
SMILESCC(=O)Nc1ccc(NC(=O)OCCO)cc1Cl
InChIInChI=1S/C11H13ClN2O4/c1-7(16)13-10-3-2-8(6-9(10)12)14-11(17)18-5-4-15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyNNYRLGIHFSBYKY-UHFFFAOYSA-N
MW272.69 g/mol
LogP1.84
Rot. Bonds4

About 2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate

2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate (PubChem CID 79349658) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate
PubChem CID79349658
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate
SMILESCC(=O)Nc1ccc(NC(=O)OCCO)cc1Cl
InChIInChI=1S/C11H13ClN2O4/c1-7(16)13-10-3-2-8(6-9(10)12)14-11(17)18-5-4-15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyNNYRLGIHFSBYKY-UHFFFAOYSA-N
XLogP1.84
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl propanoate
CID 159240658
2-hydroxyethyl N-(2-chloro-4-nitrophenyl)carbamate
CID 79345171
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
2-hydroxyethyl N-[4-(methylcarbamoyl)phenyl]carbamate
CID 79345758
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256
2-hydroxyethyl N-[3-(methylcarbamoyl)phenyl]carbamate
CID 79346068
2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
CID 79346307
(2S)-N-(4-acetamido-3-chlorophenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119276951
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate (CID 79349658) is 2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate is CC(=O)Nc1ccc(NC(=O)OCCO)cc1Cl.
What is the InChIKey of 2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate?
The InChIKey is NNYRLGIHFSBYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-7(16)13-10-3-2-8(6-9(10)12)14-11(17)18-5-4-15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate?
2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate has a molecular weight of 272.69 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate is sourced from PubChem (CID 79349658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).