N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide

C21H17ClN2O5 — CID 139213685

IUPACN-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C21H17ClN2O5/c1-28-19-11-15(21(25)23-17-10-6-5-9-16(17)22)18(24(26)27)12-20(19)29-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyGMOWMPTYQNNNTL-UHFFFAOYSA-N
MW412.83 g/mol
LogP5.09
Rot. Bonds7

About N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide

N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide (PubChem CID 139213685) has the molecular formula C21H17ClN2O5 and a molecular weight of 412.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide
PubChem CID139213685
Molecular FormulaC21H17ClN2O5
Molecular Weight412.83 g/mol
Exact Mass412.08
IUPAC NameN-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C21H17ClN2O5/c1-28-19-11-15(21(25)23-17-10-6-5-9-16(17)22)18(24(26)27)12-20(19)29-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,23,25)
InChIKeyGMOWMPTYQNNNTL-UHFFFAOYSA-N
XLogP5.09
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.83
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213694
methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
CID 22667033
5-methoxy-2-nitro-4-phenylmethoxybenzoyl chloride
CID 12506411
N-(5-chloro-4-nitro-2-phenylmethoxyphenyl)-2-fluorobenzamide
CID 9399573
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
N-(4-acetamido-3-chlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 41305442
N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 18200168
4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749777
N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 26719659
1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)piperidin-4-one
CID 163738613
N-(2-benzyl-5-methylpyrazol-3-yl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55551943
4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid
CID 108744160

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide?
The IUPAC name of N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide (CID 139213685) is N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide is COc1cc(C(=O)Nc2ccccc2Cl)c([N+](=O)[O-])cc1OCc1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide?
The InChIKey is GMOWMPTYQNNNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5/c1-28-19-11-15(21(25)23-17-10-6-5-9-16(17)22)18(24(26)27)12-20(19)29-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide?
N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide has a molecular weight of 412.83 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide is sourced from PubChem (CID 139213685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).