N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide

C15H22ClNO2 — CID 106355515

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(C)(C)C(CCCl)NC(=O)Cc1ccccc1O
InChIInChI=1S/C15H22ClNO2/c1-15(2,3)13(8-9-16)17-14(19)10-11-6-4-5-7-12(11)18/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyWTZMZFVEPBIKSF-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.09
Rot. Bonds5

About N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide

N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 106355515) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide
PubChem CID106355515
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(C)(C)C(CCCl)NC(=O)Cc1ccccc1O
InChIInChI=1S/C15H22ClNO2/c1-15(2,3)13(8-9-16)17-14(19)10-11-6-4-5-7-12(11)18/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)
InChIKeyWTZMZFVEPBIKSF-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)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

2-(2-chlorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941053
N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 114305332
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide
CID 115665144
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 106355534
N-[2-(2-chloroethyl)pentyl]-2-(2-hydroxyphenyl)acetamide
CID 114145672
N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355752
methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate
CID 78993299
2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid
CID 80740485
2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide
CID 135077215
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoline-2-carboxamide
CID 106355670
2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 114177852

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide (CID 106355515) is N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide is CC(C)(C)C(CCCl)NC(=O)Cc1ccccc1O.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is WTZMZFVEPBIKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-15(2,3)13(8-9-16)17-14(19)10-11-6-4-5-7-12(11)18/h4-7,13,18H,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 283.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 106355515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).