N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide

C19H22ClNO2 — CID 19190988

IUPACN-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2cccc(Cl)c2C)c1C
InChIInChI=1S/C19H22ClNO2/c1-13-7-4-10-18(14(13)2)23-12-6-11-19(22)21-17-9-5-8-16(20)15(17)3/h4-5,7-10H,6,11-12H2,1-3H3,(H,21,22)
InChIKeyIWQAQONWOVJUOX-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.06
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide

N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide (PubChem CID 19190988) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
PubChem CID19190988
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2cccc(Cl)c2C)c1C
InChIInChI=1S/C19H22ClNO2/c1-13-7-4-10-18(14(13)2)23-12-6-11-19(22)21-17-9-5-8-16(20)15(17)3/h4-5,7-10H,6,11-12H2,1-3H3,(H,21,22)
InChIKeyIWQAQONWOVJUOX-UHFFFAOYSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19190902
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982074
4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19190896
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
4-(4-bromophenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 18292221
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 2666396
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide (CID 19190988) is N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide is Cc1cccc(OCCCC(=O)Nc2cccc(Cl)c2C)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide?
The InChIKey is IWQAQONWOVJUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13-7-4-10-18(14(13)2)23-12-6-11-19(22)21-17-9-5-8-16(20)15(17)3/h4-5,7-10H,6,11-12H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide?
N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide has a molecular weight of 331.84 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 19190988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).