N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide

C14H20ClNO2 — CID 113272537

IUPACN-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CCl)CC(C)C
InChIInChI=1S/C14H20ClNO2/c1-10(2)8-11(9-15)16-14(17)12-6-4-5-7-13(12)18-3/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyDSWHEUSDDVEFRX-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.08
Rot. Bonds6

About N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide

N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide (PubChem CID 113272537) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide
PubChem CID113272537
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CCl)CC(C)C
InChIInChI=1S/C14H20ClNO2/c1-10(2)8-11(9-15)16-14(17)12-6-4-5-7-13(12)18-3/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyDSWHEUSDDVEFRX-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide 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-2-yl)-2,5-dimethoxybenzamide
CID 114300830
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 63755983
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 114300958
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929569
N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide (CID 113272537) is N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)NC(CCl)CC(C)C.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide?
The InChIKey is DSWHEUSDDVEFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(2)8-11(9-15)16-14(17)12-6-4-5-7-13(12)18-3/h4-7,10-11H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide?
N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide has a molecular weight of 269.77 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 113272537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).