4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide

C18H19ClN2O4 — CID 17102214

IUPAC4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C18H19ClN2O4/c1-3-4-9-25-14-7-5-13(6-8-14)18(22)20-16-11-15(19)17(21(23)24)10-12(16)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)
InChIKeyFBDMFRTXHYXDNJ-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.99
Rot. Bonds7

About 4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide

4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide (PubChem CID 17102214) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
PubChem CID17102214
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C18H19ClN2O4/c1-3-4-9-25-14-7-5-13(6-8-14)18(22)20-16-11-15(19)17(21(23)24)10-12(16)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)
InChIKeyFBDMFRTXHYXDNJ-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
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

N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4936149
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
4-heptoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 4950611
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2908402
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-ethylphenoxy)acetamide
CID 17102201
N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 17102172
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide (CID 17102214) is 4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide is CCCCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of 4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide?
The InChIKey is FBDMFRTXHYXDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-3-4-9-25-14-7-5-13(6-8-14)18(22)20-16-11-15(19)17(21(23)24)10-12(16)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22).
What are the key properties of 4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide?
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide has a molecular weight of 362.81 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 17102214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).