2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide

C22H18ClN3O6 — CID 1313904

IUPAC2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C22H18ClN3O6/c1-31-20-12-14(6-11-19(20)25-22(28)17-4-2-3-5-18(17)23)24-21(27)13-32-16-9-7-15(8-10-16)26(29)30/h2-12H,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyCQCXSFVLDOLHMM-UHFFFAOYSA-N
MW455.85 g/mol
LogP4.53
Rot. Bonds8

About 2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide

2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 1313904) has the molecular formula C22H18ClN3O6 and a molecular weight of 455.85 g/mol. Its IUPAC name is 2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
PubChem CID1313904
Molecular FormulaC22H18ClN3O6
Molecular Weight455.85 g/mol
Exact Mass455.09
IUPAC Name2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C22H18ClN3O6/c1-31-20-12-14(6-11-19(20)25-22(28)17-4-2-3-5-18(17)23)24-21(27)13-32-16-9-7-15(8-10-16)26(29)30/h2-12H,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyCQCXSFVLDOLHMM-UHFFFAOYSA-N
XLogP4.53
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.85
LogP ≤ 54.53
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'}

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Related Compounds

2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide
CID 17111369
2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4014221
2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 1326900
N-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-2-chlorobenzamide
CID 17111386
4-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-3-nitrobenzamide
CID 17111361
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23101086
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
[2-methoxy-4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3732474
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide (CID 1313904) is 2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide is COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is CQCXSFVLDOLHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O6/c1-31-20-12-14(6-11-19(20)25-22(28)17-4-2-3-5-18(17)23)24-21(27)13-32-16-9-7-15(8-10-16)26(29)30/h2-12H,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide?
2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 455.85 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 1313904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).