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

C18H16ClN3O5 — CID 55797364

IUPAC4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16ClN3O5/c19-15-5-4-12(11-16(15)22(25)26)17(23)20-14-3-1-2-13(10-14)18(24)21-6-8-27-9-7-21/h1-5,10-11H,6-9H2,(H,20,23)
InChIKeyLNXISKUXGIXJTO-UHFFFAOYSA-N
MW389.80 g/mol
LogP2.97
Rot. Bonds4

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

4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide (PubChem CID 55797364) has the molecular formula C18H16ClN3O5 and a molecular weight of 389.80 g/mol. Its IUPAC name is 4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
PubChem CID55797364
Molecular FormulaC18H16ClN3O5
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC Name4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16ClN3O5/c19-15-5-4-12(11-16(15)22(25)26)17(23)20-14-3-1-2-13(10-14)18(24)21-6-8-27-9-7-21/h1-5,10-11H,6-9H2,(H,20,23)
InChIKeyLNXISKUXGIXJTO-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

4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797008
4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 4933099
N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 54860042
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17117691
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-[3-(morpholine-4-carbonyl)phenyl]quinoline-7-carboxamide
CID 155312844
4-chloro-N-[3-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 60630033
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 42628397
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide (CID 55797364) is 4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide is O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
The InChIKey is LNXISKUXGIXJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5/c19-15-5-4-12(11-16(15)22(25)26)17(23)20-14-3-1-2-13(10-14)18(24)21-6-8-27-9-7-21/h1-5,10-11H,6-9H2,(H,20,23).
What are the key properties of 4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide?
4-chloro-N-[3-(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-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 55797364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).