(4-acetamidophenyl) N-(2-chloroethyl)carbamate

C11H13ClN2O3 — CID 18922279

IUPAC(4-acetamidophenyl) N-(2-chloroethyl)carbamate
SMILESCC(=O)Nc1ccc(OC(=O)NCCCl)cc1
InChIInChI=1S/C11H13ClN2O3/c1-8(15)14-9-2-4-10(5-3-9)17-11(16)13-7-6-12/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyXTQYRMICXSRNRO-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.97
Rot. Bonds4

About (4-acetamidophenyl) N-(2-chloroethyl)carbamate

(4-acetamidophenyl) N-(2-chloroethyl)carbamate (PubChem CID 18922279) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is (4-acetamidophenyl) N-(2-chloroethyl)carbamate.

Molecular Properties

Compound Name(4-acetamidophenyl) N-(2-chloroethyl)carbamate
PubChem CID18922279
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name(4-acetamidophenyl) N-(2-chloroethyl)carbamate
SMILESCC(=O)Nc1ccc(OC(=O)NCCCl)cc1
InChIInChI=1S/C11H13ClN2O3/c1-8(15)14-9-2-4-10(5-3-9)17-11(16)13-7-6-12/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)
InChIKeyXTQYRMICXSRNRO-UHFFFAOYSA-N
XLogP1.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

sodium 2-[(4-acetamidophenoxy)carbonylamino]ethanesulfinate
CID 71535647
bis(4-acetamidophenyl) propanedioate
CID 58435595
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
(3-methyl-4-nitrophenyl) N-(2-chloroethyl)carbamate
CID 18922296
N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide
CID 88758142
(4-acetamidophenyl) prop-2-ynoate;guanidine
CID 88638302
(4-acetamidophenyl) 2-chloroacetate;(4-acetamidophenyl) 2-pyridin-1-ium-1-ylacetate;chloride
CID 161124786
(4-acetamidophenyl) N-(3-ethylphenyl)carbamate
CID 3406901
(4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate
CID 110670540
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) N-(2-chloroethyl)carbamate?
The IUPAC name of (4-acetamidophenyl) N-(2-chloroethyl)carbamate (CID 18922279) is (4-acetamidophenyl) N-(2-chloroethyl)carbamate.
What is the SMILES notation for (4-acetamidophenyl) N-(2-chloroethyl)carbamate?
The canonical SMILES for (4-acetamidophenyl) N-(2-chloroethyl)carbamate is CC(=O)Nc1ccc(OC(=O)NCCCl)cc1.
What is the InChIKey of (4-acetamidophenyl) N-(2-chloroethyl)carbamate?
The InChIKey is XTQYRMICXSRNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-8(15)14-9-2-4-10(5-3-9)17-11(16)13-7-6-12/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of (4-acetamidophenyl) N-(2-chloroethyl)carbamate?
(4-acetamidophenyl) N-(2-chloroethyl)carbamate has a molecular weight of 256.69 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) N-(2-chloroethyl)carbamate is sourced from PubChem (CID 18922279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).