N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide

C23H16ClN3O6 — CID 3823179

IUPACN-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H16ClN3O6/c1-32-20-11-14(25-22(28)16-12-15(27(30)31)7-8-17(16)24)6-9-18(20)26-23(29)21-10-13-4-2-3-5-19(13)33-21/h2-12H,1H3,(H,25,28)(H,26,29)
InChIKeySLFVQCDQVYHILM-UHFFFAOYSA-N
MW465.85 g/mol
LogP5.51
Rot. Bonds6

About N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide

N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (PubChem CID 3823179) has the molecular formula C23H16ClN3O6 and a molecular weight of 465.85 g/mol. Its IUPAC name is N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
PubChem CID3823179
Molecular FormulaC23H16ClN3O6
Molecular Weight465.85 g/mol
Exact Mass465.07
IUPAC NameN-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H16ClN3O6/c1-32-20-11-14(25-22(28)16-12-15(27(30)31)7-8-17(16)24)6-9-18(20)26-23(29)21-10-13-4-2-3-5-19(13)33-21/h2-12H,1H3,(H,25,28)(H,26,29)
InChIKeySLFVQCDQVYHILM-UHFFFAOYSA-N
XLogP5.51
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.85
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide 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-[2-methoxy-4-[(2-nitrobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3861071
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016170
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403
N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016176
N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213329
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016051
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23101086
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[4-[(2-iodobenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 3551770
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
N-[2-methoxy-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1256453

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (CID 3823179) is N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is SLFVQCDQVYHILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O6/c1-32-20-11-14(25-22(28)16-12-15(27(30)31)7-8-17(16)24)6-9-18(20)26-23(29)21-10-13-4-2-3-5-19(13)33-21/h2-12H,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 465.85 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3823179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).