2-chloro-N-(2-phenylpropylcarbamoyl)acetamide

C12H15ClN2O2 — CID 104592070

IUPAC2-chloro-N-(2-phenylpropylcarbamoyl)acetamide
SMILESCC(CNC(=O)NC(=O)CCl)c1ccccc1
InChIInChI=1S/C12H15ClN2O2/c1-9(10-5-3-2-4-6-10)8-14-12(17)15-11(16)7-13/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyCOQYHMVHKDVRIP-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.85
Rot. Bonds4

About 2-chloro-N-(2-phenylpropylcarbamoyl)acetamide

2-chloro-N-(2-phenylpropylcarbamoyl)acetamide (PubChem CID 104592070) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylpropylcarbamoyl)acetamide
PubChem CID104592070
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-N-(2-phenylpropylcarbamoyl)acetamide
SMILESCC(CNC(=O)NC(=O)CCl)c1ccccc1
InChIInChI=1S/C12H15ClN2O2/c1-9(10-5-3-2-4-6-10)8-14-12(17)15-11(16)7-13/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyCOQYHMVHKDVRIP-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
(2S)-2-hydroxy-3-(2-phenylpropylcarbamoylamino)propanoic acid
CID 107840975
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
3-methyl-2-(2-phenylpropylcarbamoylamino)butanoic acid
CID 103994310
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
CID 40798663
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 103994328
(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 104591974
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylpropylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(2-phenylpropylcarbamoyl)acetamide (CID 104592070) is 2-chloro-N-(2-phenylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-phenylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-phenylpropylcarbamoyl)acetamide is CC(CNC(=O)NC(=O)CCl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-phenylpropylcarbamoyl)acetamide?
The InChIKey is COQYHMVHKDVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-9(10-5-3-2-4-6-10)8-14-12(17)15-11(16)7-13/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-(2-phenylpropylcarbamoyl)acetamide?
2-chloro-N-(2-phenylpropylcarbamoyl)acetamide has a molecular weight of 254.72 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenylpropylcarbamoyl)acetamide is sourced from PubChem (CID 104592070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).