N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide

C23H20ClN3O7 — CID 55881315

IUPACN-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C23H20ClN3O7/c1-32-18-12-15(19(27(30)31)21(34-3)20(18)33-2)23(29)26-17-7-5-4-6-16(17)25-22(28)13-8-10-14(24)11-9-13/h4-12H,1-3H3,(H,25,28)(H,26,29)
InChIKeyDDEVKQYBGZLHQA-UHFFFAOYSA-N
MW485.88 g/mol
LogP4.78
Rot. Bonds8

About N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide

N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide (PubChem CID 55881315) has the molecular formula C23H20ClN3O7 and a molecular weight of 485.88 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide
PubChem CID55881315
Molecular FormulaC23H20ClN3O7
Molecular Weight485.88 g/mol
Exact Mass485.10
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C23H20ClN3O7/c1-32-18-12-15(19(27(30)31)21(34-3)20(18)33-2)23(29)26-17-7-5-4-6-16(17)25-22(28)13-8-10-14(24)11-9-13/h4-12H,1-3H3,(H,25,28)(H,26,29)
InChIKeyDDEVKQYBGZLHQA-UHFFFAOYSA-N
XLogP4.78
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.88
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidophenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 55923891
N-(5-tert-butyl-2-methoxyphenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 18089488
N-(3-acetylphenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 18089461
3,4,5-trimethoxy-N-[2-(morpholine-4-carbonyl)phenyl]-2-nitrobenzamide
CID 55546101
3,4,5-trimethoxy-N-methyl-2-nitrobenzamide
CID 46786337
1-N,3-N-bis(3-fluoro-2-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157429
N-[1-(2-fluorophenyl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 46654013
N-(6-chloro-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 55414055
3,4,5-trimethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-nitrobenzamide
CID 56552794
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 24575757
N-(3,5-difluorophenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 27055163
methyl 2-[(4-chlorobenzoyl)amino]-3,4,5-trimethoxybenzoate
CID 15406018

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide (CID 55881315) is N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide is COc1cc(C(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c(OC)c1OC.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide?
The InChIKey is DDEVKQYBGZLHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O7/c1-32-18-12-15(19(27(30)31)21(34-3)20(18)33-2)23(29)26-17-7-5-4-6-16(17)25-22(28)13-8-10-14(24)11-9-13/h4-12H,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide?
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide has a molecular weight of 485.88 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide is sourced from PubChem (CID 55881315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).