N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide

C17H18ClN3O5 — CID 16963156

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
SMILESCOCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H18ClN3O5/c1-25-8-7-19-15-5-4-12(21(23)24)10-13(15)17(22)20-11-3-6-16(26-2)14(18)9-11/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyGSQRFWPYGOEXFR-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.57
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide

N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide (PubChem CID 16963156) has the molecular formula C17H18ClN3O5 and a molecular weight of 379.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
PubChem CID16963156
Molecular FormulaC17H18ClN3O5
Molecular Weight379.80 g/mol
Exact Mass379.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
SMILESCOCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H18ClN3O5/c1-25-8-7-19-15-5-4-12(21(23)24)10-13(15)17(22)20-11-3-6-16(26-2)14(18)9-11/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyGSQRFWPYGOEXFR-UHFFFAOYSA-N
XLogP3.57
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963342
N-(4-cyanophenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963092
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963286
2-(2-methoxyethylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitrobenzamide
CID 16963205
2-(2-methoxyethylamino)-5-nitrobenzamide
CID 2960673
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963170
2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide
CID 39975932
2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide
CID 9106447
2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 16963101
2-(2-methoxyethylamino)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5-nitrobenzamide
CID 16963330
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide (CID 16963156) is N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide is COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide?
The InChIKey is GSQRFWPYGOEXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5/c1-25-8-7-19-15-5-4-12(21(23)24)10-13(15)17(22)20-11-3-6-16(26-2)14(18)9-11/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide?
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide has a molecular weight of 379.80 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide is sourced from PubChem (CID 16963156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).