2-chloro-N-(2-phenylpropyl)propanamide

C12H16ClNO — CID 4961581

IUPAC2-chloro-N-(2-phenylpropyl)propanamide
SMILESCC(Cl)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C12H16ClNO/c1-9(8-14-12(15)10(2)13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,14,15)
InChIKeyDNKIAYZEDJPQEY-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.53
Rot. Bonds4

About 2-chloro-N-(2-phenylpropyl)propanamide

2-chloro-N-(2-phenylpropyl)propanamide (PubChem CID 4961581) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylpropyl)propanamide
PubChem CID4961581
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N-(2-phenylpropyl)propanamide
SMILESCC(Cl)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C12H16ClNO/c1-9(8-14-12(15)10(2)13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,14,15)
InChIKeyDNKIAYZEDJPQEY-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 39869905
(2R)-2-(dimethylamino)-2-phenyl-N-[(2R)-2-phenylpropyl]acetamide
CID 99645937
(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
CID 119270188
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate
CID 8578724
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
2-cyano-3-methyl-N-(2-phenylpropyl)butanamide
CID 113430213
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879
2-chloro-N-(2-phenylpropylcarbamoyl)acetamide
CID 104592070
(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
CID 8604307

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylpropyl)propanamide?
The IUPAC name of 2-chloro-N-(2-phenylpropyl)propanamide (CID 4961581) is 2-chloro-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-phenylpropyl)propanamide is CC(Cl)C(=O)NCC(C)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-phenylpropyl)propanamide?
The InChIKey is DNKIAYZEDJPQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9(8-14-12(15)10(2)13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-phenylpropyl)propanamide?
2-chloro-N-(2-phenylpropyl)propanamide has a molecular weight of 225.72 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 4961581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).