4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide

C18H19ClN2O4 — CID 19191276

IUPAC4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C18H19ClN2O4/c1-12-5-6-14(11-17(12)21(23)24)20-18(22)4-3-9-25-15-7-8-16(19)13(2)10-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)
InChIKeyGQRRKPJMFLSDIB-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.66
Rot. Bonds7

About 4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide (PubChem CID 19191276) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
PubChem CID19191276
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C18H19ClN2O4/c1-12-5-6-14(11-17(12)21(23)24)20-18(22)4-3-9-25-15-7-8-16(19)13(2)10-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)
InChIKeyGQRRKPJMFLSDIB-UHFFFAOYSA-N
XLogP4.66
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573
4-[4-(2-methylbutan-2-yl)phenoxy]-N-(4-methyl-3-nitrophenyl)butanamide
CID 2072091
N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide
CID 19191422
4-(2-bromo-4-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19202501
4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 8892876
3-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
CID 26576342
N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807182
4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32937961
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19206305

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide (CID 19191276) is 4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide is Cc1cc(OCCCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide?
The InChIKey is GQRRKPJMFLSDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-12-5-6-14(11-17(12)21(23)24)20-18(22)4-3-9-25-15-7-8-16(19)13(2)10-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide has a molecular weight of 362.81 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide is sourced from PubChem (CID 19191276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).