2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide

C15H22ClNO2 — CID 66173478

IUPAC2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide
SMILESCC(C)CC(C)(O)CNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H22ClNO2/c1-11(2)9-15(3,19)10-17-14(18)13(16)12-7-5-4-6-8-12/h4-8,11,13,19H,9-10H2,1-3H3,(H,17,18)
InChIKeyKSPWZJUCXNQCGT-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.88
Rot. Bonds6

About 2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide

2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide (PubChem CID 66173478) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide
PubChem CID66173478
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide
SMILESCC(C)CC(C)(O)CNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H22ClNO2/c1-11(2)9-15(3,19)10-17-14(18)13(16)12-7-5-4-6-8-12/h4-8,11,13,19H,9-10H2,1-3H3,(H,17,18)
InChIKeyKSPWZJUCXNQCGT-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.88
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

3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide
CID 66174479
3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide
CID 114167195
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide
CID 106275818
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898712
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
CID 66178734
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 81322635
2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66172270
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide
CID 113279319
2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide
CID 43310552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide (CID 66173478) is 2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide is CC(C)CC(C)(O)CNC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide?
The InChIKey is KSPWZJUCXNQCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(2)9-15(3,19)10-17-14(18)13(16)12-7-5-4-6-8-12/h4-8,11,13,19H,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide?
2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide has a molecular weight of 283.80 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide is sourced from PubChem (CID 66173478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).