N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide

C23H19N3O5 — CID 9244896

IUPACN-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H19N3O5/c1-31-21-5-3-2-4-20(21)25-23(28)17-9-11-18(12-10-17)24-22(27)15-8-16-6-13-19(14-7-16)26(29)30/h2-15H,1H3,(H,24,27)(H,25,28)/b15-8+
InChIKeyHBUVWWTUUMLJIZ-OVCLIPMQSA-N
MW417.42 g/mol
LogP4.51
Rot. Bonds7

About N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide (PubChem CID 9244896) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
PubChem CID9244896
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC NameN-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H19N3O5/c1-31-21-5-3-2-4-20(21)25-23(28)17-9-11-18(12-10-17)24-22(27)15-8-16-6-13-19(14-7-16)26(29)30/h2-15H,1H3,(H,24,27)(H,25,28)/b15-8+
InChIKeyHBUVWWTUUMLJIZ-OVCLIPMQSA-N
XLogP4.51
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
3-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3475022
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide
CID 2349234
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
4-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenoxy]benzoic acid
CID 174548810
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 26515812
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186952
3-(4-nitrophenyl)-N-[4-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 5115471
(Z)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide (CID 9244896) is N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is HBUVWWTUUMLJIZ-OVCLIPMQSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-31-21-5-3-2-4-20(21)25-23(28)17-9-11-18(12-10-17)24-22(27)15-8-16-6-13-19(14-7-16)26(29)30/h2-15H,1H3,(H,24,27)(H,25,28)/b15-8+.
What are the key properties of N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 417.42 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 9244896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).