2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide

C11H13ClN2O3 — CID 12585306

IUPAC2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CCl)cc1
InChIInChI=1S/C11H13ClN2O3/c1-2-17-9-5-3-8(4-6-9)13-11(16)14-10(15)7-12/h3-6H,2,7H2,1H3,(H2,13,14,15,16)
InChIKeyBCUVRZRECCKDAD-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.97
Rot. Bonds4

About 2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide

2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide (PubChem CID 12585306) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide
PubChem CID12585306
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CCl)cc1
InChIInChI=1S/C11H13ClN2O3/c1-2-17-9-5-3-8(4-6-9)13-11(16)14-10(15)7-12/h3-6H,2,7H2,1H3,(H2,13,14,15,16)
InChIKeyBCUVRZRECCKDAD-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

2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
CID 43146435
2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
CID 43328839
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide
CID 43328952
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide (CID 12585306) is 2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide is CCOc1ccc(NC(=O)NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide?
The InChIKey is BCUVRZRECCKDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-2-17-9-5-3-8(4-6-9)13-11(16)14-10(15)7-12/h3-6H,2,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide?
2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide 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 2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide is sourced from PubChem (CID 12585306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).