2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide

C17H15BrN2O2 — CID 142315983

IUPAC2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NC(/C=C/c1ccccc1)=N/O
InChIInChI=1S/C17H15BrN2O2/c18-15-9-6-14(7-10-15)12-17(21)19-16(20-22)11-8-13-4-2-1-3-5-13/h1-11,22H,12H2,(H,19,20,21)/b11-8+
InChIKeyITPOVVBAKKGZQY-DHZHZOJOSA-N
MW359.22 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide

2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide (PubChem CID 142315983) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide
PubChem CID142315983
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NC(/C=C/c1ccccc1)=N/O
InChIInChI=1S/C17H15BrN2O2/c18-15-9-6-14(7-10-15)12-17(21)19-16(20-22)11-8-13-4-2-1-3-5-13/h1-11,22H,12H2,(H,19,20,21)/b11-8+
InChIKeyITPOVVBAKKGZQY-DHZHZOJOSA-N
XLogP3.61
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(E)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]-3-phenylprop-2-enamide
CID 146305595
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
S-(4-bromophenyl) (E)-3-phenylprop-2-enethioate
CID 100922757
[N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea
CID 54228686
N-[(4-bromophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 2887824
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6948702
4-bromo-N-(4-phenylbut-3-en-2-ylideneamino)benzamide
CID 834129
(2Z)-3-(4-bromophenyl)-2-hydroxyiminopropanoic acid
CID 165486392
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
(E,2Z)-N-hydroxy-2-hydroxyimino-4-oxo-6-phenylhex-5-enamide
CID 6412150
N-[[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylacetamide
CID 129460869

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide (CID 142315983) is 2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide is O=C(Cc1ccc(Br)cc1)NC(/C=C/c1ccccc1)=N/O.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide?
The InChIKey is ITPOVVBAKKGZQY-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-15-9-6-14(7-10-15)12-17(21)19-16(20-22)11-8-13-4-2-1-3-5-13/h1-11,22H,12H2,(H,19,20,21)/b11-8+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide?
2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide has a molecular weight of 359.22 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(E)-N-hydroxy-C-[(E)-2-phenylethenyl]carbonimidoyl]acetamide is sourced from PubChem (CID 142315983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).