3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide

C16H13ClN2O4 — CID 2905603

IUPAC3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C16H13ClN2O4/c1-23-15-10-12(19(21)22)7-8-14(15)18-16(20)9-6-11-4-2-3-5-13(11)17/h2-10H,1H3,(H,18,20)
InChIKeyBRPQXCCLJZHFOF-UHFFFAOYSA-N
MW332.74 g/mol
LogP3.91
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide

3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide (PubChem CID 2905603) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
PubChem CID2905603
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C16H13ClN2O4/c1-23-15-10-12(19(21)22)7-8-14(15)18-16(20)9-6-11-4-2-3-5-13(11)17/h2-10H,1H3,(H,18,20)
InChIKeyBRPQXCCLJZHFOF-UHFFFAOYSA-N
XLogP3.91
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methoxy-4-nitrophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2793351
(E)-3-(2-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 6272482
(E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 46809317
N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 145331480
N-(2-chloro-4-nitrophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 3364955
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903913
(E)-3-(2-chloro-3-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 45051319
(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2268412
3-(2,4-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 3606072
3-(2-chlorophenyl)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]prop-2-enamide
CID 4508499
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485685

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide (CID 2905603) is 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C=Cc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide?
The InChIKey is BRPQXCCLJZHFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c1-23-15-10-12(19(21)22)7-8-14(15)18-16(20)9-6-11-4-2-3-5-13(11)17/h2-10H,1H3,(H,18,20).
What are the key properties of 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide?
3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide has a molecular weight of 332.74 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 2905603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).