2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide

C17H16ClN3O5 — CID 55659202

IUPAC2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O5/c18-15-7-2-1-6-14(15)17(23)20-9-8-19-16(22)11-26-13-5-3-4-12(10-13)21(24)25/h1-7,10H,8-9,11H2,(H,19,22)(H,20,23)
InChIKeyGMWYRKSLAPMBIO-UHFFFAOYSA-N
MW377.78 g/mol
LogP2.17
Rot. Bonds8

About 2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide

2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide (PubChem CID 55659202) has the molecular formula C17H16ClN3O5 and a molecular weight of 377.78 g/mol. Its IUPAC name is 2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide
PubChem CID55659202
Molecular FormulaC17H16ClN3O5
Molecular Weight377.78 g/mol
Exact Mass377.08
IUPAC Name2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O5/c18-15-7-2-1-6-14(15)17(23)20-9-8-19-16(22)11-26-13-5-3-4-12(10-13)21(24)25/h1-7,10H,8-9,11H2,(H,19,22)(H,20,23)
InChIKeyGMWYRKSLAPMBIO-UHFFFAOYSA-N
XLogP2.17
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-hydroxy-4-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid
CID 107832577
2-chloro-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 46461477
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-(3-nitrophenoxy)acetamide
CID 103767321
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 1326900
N-[3-(cyclopropylmethoxy)propyl]-2-(3-nitrophenoxy)acetamide
CID 46408206
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
1-(2,6-difluorophenyl)-2-(3-nitrophenoxy)ethanone
CID 60662380
N-[2-(3-aminophenoxy)ethyl]-2-chloro-5-nitrobenzamide
CID 139950400
N-cyclopropyl-2-(3-nitrophenoxy)acetamide
CID 7865440

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide (CID 55659202) is 2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide is O=C(COc1cccc([N+](=O)[O-])c1)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is GMWYRKSLAPMBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O5/c18-15-7-2-1-6-14(15)17(23)20-9-8-19-16(22)11-26-13-5-3-4-12(10-13)21(24)25/h1-7,10H,8-9,11H2,(H,19,22)(H,20,23).
What are the key properties of 2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 377.78 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 55659202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).