N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide

C11H11BrN2O3 — CID 143926912

IUPACN-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide
SMILESCOc1cc(Br)ccc1/C=C/C(=O)NNC=O
InChIInChI=1S/C11H11BrN2O3/c1-17-10-6-9(12)4-2-8(10)3-5-11(16)14-13-7-15/h2-7H,1H3,(H,13,15)(H,14,16)/b5-3+
InChIKeyLPPHZEKBLIXIMN-HWKANZROSA-N
MW299.12 g/mol
LogP1.25
Rot. Bonds5

About N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide

N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide (PubChem CID 143926912) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide.

Molecular Properties

Compound NameN-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide
PubChem CID143926912
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC NameN-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide
SMILESCOc1cc(Br)ccc1/C=C/C(=O)NNC=O
InChIInChI=1S/C11H11BrN2O3/c1-17-10-6-9(12)4-2-8(10)3-5-11(16)14-13-7-15/h2-7H,1H3,(H,13,15)(H,14,16)/b5-3+
InChIKeyLPPHZEKBLIXIMN-HWKANZROSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide with MolForge

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Related Compounds

(E)-3-(5-bromo-2-methoxyphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104957071
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide
CID 9339315
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 19206457
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
(E)-N-[(3-bromophenyl)methyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55596614
N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 40723054
N-(2-amino-2-oxoethyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 78911973
3-(5-bromo-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)prop-2-enamide
CID 77064958
(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 17111218
(E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 41177590
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 3990613

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide?
The IUPAC name of N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide (CID 143926912) is N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide.
What is the SMILES notation for N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide?
The canonical SMILES for N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide is COc1cc(Br)ccc1/C=C/C(=O)NNC=O.
What is the InChIKey of N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide?
The InChIKey is LPPHZEKBLIXIMN-HWKANZROSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-17-10-6-9(12)4-2-8(10)3-5-11(16)14-13-7-15/h2-7H,1H3,(H,13,15)(H,14,16)/b5-3+.
What are the key properties of N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide?
N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide has a molecular weight of 299.12 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-3-(4-bromo-2-methoxyphenyl)prop-2-enoyl]amino]formamide is sourced from PubChem (CID 143926912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).