N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide

C14H20ClNO2 — CID 114177673

IUPACN-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC(CCCl)C(C)C)c1
InChIInChI=1S/C14H20ClNO2/c1-9(2)12(6-7-15)16-14(18)11-8-10(3)4-5-13(11)17/h4-5,8-9,12,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyTYPGPEZKPNECQO-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.08
Rot. Bonds5

About N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide

N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide (PubChem CID 114177673) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
PubChem CID114177673
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC(CCCl)C(C)C)c1
InChIInChI=1S/C14H20ClNO2/c1-9(2)12(6-7-15)16-14(18)11-8-10(3)4-5-13(11)17/h4-5,8-9,12,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyTYPGPEZKPNECQO-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.08
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-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide 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

N-(1-chloro-4-methylpentan-3-yl)-2,4-dimethylbenzamide
CID 114177660
N-(1-chloro-4-methylpentan-3-yl)-3,4-dihydroxybenzamide
CID 106354668
N-(1-chloro-4-methylpentan-3-yl)-2,4-dihydroxybenzamide
CID 106354678
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide
CID 54968038
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 113233078
N-(1-chloro-4-methylpentan-3-yl)-2,4-difluorobenzamide
CID 106354787
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide (CID 114177673) is N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NC(CCCl)C(C)C)c1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide?
The InChIKey is TYPGPEZKPNECQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)12(6-7-15)16-14(18)11-8-10(3)4-5-13(11)17/h4-5,8-9,12,17H,6-7H2,1-3H3,(H,16,18).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide?
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 3.08, 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-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 114177673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).