2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide

C12H15ClN2O3 — CID 43146435

IUPAC2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
SMILESCC(C)Oc1ccc(NC(=O)NC(=O)CCl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-8(2)18-10-5-3-9(4-6-10)14-12(17)15-11(16)7-13/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyUDFGAJOKNNNTHB-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.36
Rot. Bonds4

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

2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide (PubChem CID 43146435) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
PubChem CID43146435
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
SMILESCC(C)Oc1ccc(NC(=O)NC(=O)CCl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-8(2)18-10-5-3-9(4-6-10)14-12(17)15-11(16)7-13/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyUDFGAJOKNNNTHB-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.36
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

4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide
CID 12585306
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide
CID 4962265
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide
CID 43328952
1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea
CID 108988372
2-[2-[(4-propan-2-yloxyphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463310
N-[(4-propan-2-yloxyphenyl)carbamoyl]furan-2-carboxamide
CID 110866473
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide (CID 43146435) is 2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide is CC(C)Oc1ccc(NC(=O)NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide?
The InChIKey is UDFGAJOKNNNTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(2)18-10-5-3-9(4-6-10)14-12(17)15-11(16)7-13/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide?
2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide has a molecular weight of 270.72 g/mol, XLogP of 2.36, 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-propan-2-yloxyphenyl)carbamoyl]acetamide is sourced from PubChem (CID 43146435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).