2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide

C19H18ClN3O5 — CID 78837706

IUPAC2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC(O)C1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H18ClN3O5/c20-16-10-12(23(27)28)7-8-14(16)18(25)21-17-6-2-1-5-15(17)19(26)22-9-3-4-13(24)11-22/h1-2,5-8,10,13,24H,3-4,9,11H2,(H,21,25)
InChIKeyYEOMNYJGTCAUJY-UHFFFAOYSA-N
MW403.82 g/mol
LogP3.10
Rot. Bonds4

About 2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide

2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide (PubChem CID 78837706) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
PubChem CID78837706
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC Name2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC(O)C1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H18ClN3O5/c20-16-10-12(23(27)28)7-8-14(16)18(25)21-17-6-2-1-5-15(17)19(26)22-9-3-4-13(24)11-22/h1-2,5-8,10,13,24H,3-4,9,11H2,(H,21,25)
InChIKeyYEOMNYJGTCAUJY-UHFFFAOYSA-N
XLogP3.10
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 53.10
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903889
2-chloro-4-nitro-N-[2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 37264034
(2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62247895
(2-chloro-4-nitrophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3605259
N-(2-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 8749599
2-chloro-4-nitro-N-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]benzamide
CID 24675826
(3-aminopiperidin-1-yl)-(2-chloro-4-nitrophenyl)methanone;hydrochloride
CID 119378331
2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 4676090
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide
CID 5034506
2-chloro-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]phenyl]-4-nitrobenzamide
CID 134063468
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide (CID 78837706) is 2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide is O=C(Nc1ccccc1C(=O)N1CCCC(O)C1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide?
The InChIKey is YEOMNYJGTCAUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c20-16-10-12(23(27)28)7-8-14(16)18(25)21-17-6-2-1-5-15(17)19(26)22-9-3-4-13(24)11-22/h1-2,5-8,10,13,24H,3-4,9,11H2,(H,21,25).
What are the key properties of 2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide?
2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide has a molecular weight of 403.82 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 78837706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).