N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide

C17H15BrN2O2 — CID 2267567

IUPACN-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O2/c1-12(21)20-16-8-6-15(7-9-16)19-11-10-17(22)13-2-4-14(18)5-3-13/h2-11,19H,1H3,(H,20,21)/b11-10+
InChIKeyMJWKOVLDDYCJFS-ZHACJKMWSA-N
MW359.22 g/mol
LogP4.22
Rot. Bonds5

About N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide

N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide (PubChem CID 2267567) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
PubChem CID2267567
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O2/c1-12(21)20-16-8-6-15(7-9-16)19-11-10-17(22)13-2-4-14(18)5-3-13/h2-11,19H,1H3,(H,20,21)/b11-10+
InChIKeyMJWKOVLDDYCJFS-ZHACJKMWSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide (CID 2267567) is N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
The InChIKey is MJWKOVLDDYCJFS-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-12(21)20-16-8-6-15(7-9-16)19-11-10-17(22)13-2-4-14(18)5-3-13/h2-11,19H,1H3,(H,20,21)/b11-10+.
What are the key properties of N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide?
N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide has a molecular weight of 359.22 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide is sourced from PubChem (CID 2267567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).