(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide

C17H14Cl2N2O3 — CID 9417737

IUPAC(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14Cl2N2O3/c1-20(11-13-6-8-14(18)10-15(13)19)17(22)9-7-12-4-2-3-5-16(12)21(23)24/h2-10H,11H2,1H3/b9-7+
InChIKeyRCFJHSBDKPLZST-VQHVLOKHSA-N
MW365.22 g/mol
LogP4.57
Rot. Bonds5

About (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide

(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 9417737) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide
PubChem CID9417737
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14Cl2N2O3/c1-20(11-13-6-8-14(18)10-15(13)19)17(22)9-7-12-4-2-3-5-16(12)21(23)24/h2-10H,11H2,1H3/b9-7+
InChIKeyRCFJHSBDKPLZST-VQHVLOKHSA-N
XLogP4.57
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 76856856
(E)-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 39972247
(E)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 31843222
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 77013487
N-methyl-4-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 8964734
(E)-3-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 26268812
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699
(E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(2-nitrophenyl)-N-propylprop-2-enamide
CID 26730414
(E)-N-[(2,4-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 9417727
N,N-dimethoxy-3-(2-nitrophenyl)prop-2-enamide
CID 90423542
N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide
CID 103599139
(2E,4E)-1-(2,5-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dien-1-one
CID 53376756

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide (CID 9417737) is (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is RCFJHSBDKPLZST-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-20(11-13-6-8-14(18)10-15(13)19)17(22)9-7-12-4-2-3-5-16(12)21(23)24/h2-10H,11H2,1H3/b9-7+.
What are the key properties of (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 365.22 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 9417737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).