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

C18H16ClN3O5 — CID 4933099

IUPAC4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16ClN3O5/c19-14-6-5-12(11-16(14)22(25)26)17(23)20-15-4-2-1-3-13(15)18(24)21-7-9-27-10-8-21/h1-6,11H,7-10H2,(H,20,23)
InChIKeyHRCCVJKWZWOTIU-UHFFFAOYSA-N
MW389.80 g/mol
LogP2.97
Rot. Bonds4

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

4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide (PubChem CID 4933099) has the molecular formula C18H16ClN3O5 and a molecular weight of 389.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
PubChem CID4933099
Molecular FormulaC18H16ClN3O5
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC Name4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16ClN3O5/c19-14-6-5-12(11-16(14)22(25)26)17(23)20-15-4-2-1-3-13(15)18(24)21-7-9-27-10-8-21/h1-6,11H,7-10H2,(H,20,23)
InChIKeyHRCCVJKWZWOTIU-UHFFFAOYSA-N
XLogP2.97
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 52.97
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'}

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Related Compounds

2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 4676090
4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797364
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220891
4-chloro-N-(2,4-dimorpholin-4-ylphenyl)-3-nitrobenzamide
CID 4824096
methyl 3-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]-5-nitrobenzoate
CID 3938037
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
4-methylsulfanyl-3-nitro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905323
2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 60596512
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide
CID 31815932
N-[2-(morpholine-4-carbonyl)phenyl]-4-phenoxybenzamide
CID 35325582

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide (CID 4933099) is 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide is O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
The InChIKey is HRCCVJKWZWOTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5/c19-14-6-5-12(11-16(14)22(25)26)17(23)20-15-4-2-1-3-13(15)18(24)21-7-9-27-10-8-21/h1-6,11H,7-10H2,(H,20,23).
What are the key properties of 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide has a molecular weight of 389.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 4933099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).