2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide

C14H20ClNO — CID 155581097

IUPAC2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1ccc(C(C)C)c(NC(=O)CCl)c1
InChIInChI=1S/C14H20ClNO/c1-9(2)11-5-6-12(10(3)4)13(7-11)16-14(17)8-15/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeyRAGIJNSHTPQEDV-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.11
Rot. Bonds4

About 2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide

2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide (PubChem CID 155581097) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide
PubChem CID155581097
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1ccc(C(C)C)c(NC(=O)CCl)c1
InChIInChI=1S/C14H20ClNO/c1-9(2)11-5-6-12(10(3)4)13(7-11)16-14(17)8-15/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeyRAGIJNSHTPQEDV-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide
CID 43698416
N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131547
2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide
CID 166429832
2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide
CID 71415983
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
1-[2-[2,5-di(propan-2-yl)anilino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 154845582
3-chloro-N-[2,4-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 63680547
5-(2-methyl-5-propan-2-ylanilino)-5-oxopentanoic acid
CID 115163810
N-(2-methyl-5-propan-2-ylphenyl)octanamide
CID 4069709
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
CID 55105659
2-hydroxy-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115139566

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide (CID 155581097) is 2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide is CC(C)c1ccc(C(C)C)c(NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide?
The InChIKey is RAGIJNSHTPQEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9(2)11-5-6-12(10(3)4)13(7-11)16-14(17)8-15/h5-7,9-10H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide?
2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide has a molecular weight of 253.77 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 155581097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).