3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide

C19H19N3O4 — CID 1115667

IUPAC3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(C=CN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O4/c23-19(20-16-6-2-1-3-7-16)17-8-4-5-15(18(17)22(24)25)9-10-21-11-13-26-14-12-21/h1-10H,11-14H2,(H,20,23)
InChIKeyCGXMCDPGNIOZFQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.15
Rot. Bonds5

About 3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide

3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide (PubChem CID 1115667) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide
PubChem CID1115667
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(C=CN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O4/c23-19(20-16-6-2-1-3-7-16)17-8-4-5-15(18(17)22(24)25)9-10-21-11-13-26-14-12-21/h1-10H,11-14H2,(H,20,23)
InChIKeyCGXMCDPGNIOZFQ-UHFFFAOYSA-N
XLogP3.15
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.15
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

2,3-dinitro-N-phenylbenzamide
CID 18931494
3-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-nitrobenzamide
CID 55905910
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-methyl-2-nitrobenzamide
CID 46428530
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-nitrobenzamide
CID 3266363
2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205432
N-[3-[(2-chlorobenzoyl)amino]phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17117691
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061
3-chloro-2-hydroxy-4-nitro-N-phenyl-5-prop-1-enylbenzamide
CID 173461837
N-[3-(morpholine-4-carbonyl)phenyl]-2-phenylmethoxybenzamide
CID 175178131
3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 39902627

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide?
The IUPAC name of 3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide (CID 1115667) is 3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide.
What is the SMILES notation for 3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide?
The canonical SMILES for 3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(C=CN2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide?
The InChIKey is CGXMCDPGNIOZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-19(20-16-6-2-1-3-7-16)17-8-4-5-15(18(17)22(24)25)9-10-21-11-13-26-14-12-21/h1-10H,11-14H2,(H,20,23).
What are the key properties of 3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide?
3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide has a molecular weight of 353.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethenyl)-2-nitro-N-phenylbenzamide is sourced from PubChem (CID 1115667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).