(E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

C16H13BrN2O4 — CID 46809317

IUPAC(E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C16H13BrN2O4/c1-23-15-8-7-12(19(21)22)10-14(15)18-16(20)9-6-11-4-2-3-5-13(11)17/h2-10H,1H3,(H,18,20)/b9-6+
InChIKeyFOVIGPKFXCCTEQ-RMKNXTFCSA-N
MW377.19 g/mol
LogP4.02
Rot. Bonds5

About (E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

(E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide (PubChem CID 46809317) has the molecular formula C16H13BrN2O4 and a molecular weight of 377.19 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
PubChem CID46809317
Molecular FormulaC16H13BrN2O4
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC Name(E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C16H13BrN2O4/c1-23-15-8-7-12(19(21)22)10-14(15)18-16(20)9-6-11-4-2-3-5-13(11)17/h2-10H,1H3,(H,18,20)/b9-6+
InChIKeyFOVIGPKFXCCTEQ-RMKNXTFCSA-N
XLogP4.02
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 54.02
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

3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1178404
N-(2-methoxy-4-nitrophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2793351
3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 2905603
(E)-3-(2-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 6272482
(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 19206504
3-(4-tert-butylphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1291349
N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 1191358
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 33307679
2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 24527884
(E)-N-(2-bromo-4-nitrophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 19180902
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide (CID 46809317) is (E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide is COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide?
The InChIKey is FOVIGPKFXCCTEQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H13BrN2O4/c1-23-15-8-7-12(19(21)22)10-14(15)18-16(20)9-6-11-4-2-3-5-13(11)17/h2-10H,1H3,(H,18,20)/b9-6+.
What are the key properties of (E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide?
(E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide has a molecular weight of 377.19 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 46809317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).