4-amino-3-(2-phenylethenyl)benzoyl chloride

C15H12ClNO — CID 174665698

IUPAC4-amino-3-(2-phenylethenyl)benzoyl chloride
SMILESNc1ccc(C(=O)Cl)cc1C=Cc1ccccc1
InChIInChI=1S/C15H12ClNO/c16-15(18)13-8-9-14(17)12(10-13)7-6-11-4-2-1-3-5-11/h1-10H,17H2
InChIKeyFVOVYPJURFWAMZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.82
Rot. Bonds3

About 4-amino-3-(2-phenylethenyl)benzoyl chloride

4-amino-3-(2-phenylethenyl)benzoyl chloride (PubChem CID 174665698) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-amino-3-(2-phenylethenyl)benzoyl chloride.

Molecular Properties

Compound Name4-amino-3-(2-phenylethenyl)benzoyl chloride
PubChem CID174665698
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name4-amino-3-(2-phenylethenyl)benzoyl chloride
SMILESNc1ccc(C(=O)Cl)cc1C=Cc1ccccc1
InChIInChI=1S/C15H12ClNO/c16-15(18)13-8-9-14(17)12(10-13)7-6-11-4-2-1-3-5-11/h1-10H,17H2
InChIKeyFVOVYPJURFWAMZ-UHFFFAOYSA-N
XLogP3.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-phenylethenyl]benzoyl chloride
CID 12836536
(E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one
CID 175973141
methyl 2-amino-5-(2-phenylethenyl)benzoate
CID 70119663
2-amino-5-benzoylbenzaldehyde
CID 58625138
3-amino-4-phenylbenzoyl chloride
CID 162734876
benzoyl chloride;hydrazine
CID 19933227
benzoyl chloride;selane
CID 174449470
[4-amino-3-[(E)-2-phenylethenyl]phenyl] thiophene-2-sulfonate
CID 58790827
4-chloro-2-[(E)-2-phenylethenyl]benzamide
CID 10106537
acetic acid;stilbene
CID 172803728
1-phenyl-2-[2-(2-phenylethenyl)phenyl]ethane-1,2-dione
CID 141311966
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-phenylethenyl)benzoyl chloride?
The IUPAC name of 4-amino-3-(2-phenylethenyl)benzoyl chloride (CID 174665698) is 4-amino-3-(2-phenylethenyl)benzoyl chloride.
What is the SMILES notation for 4-amino-3-(2-phenylethenyl)benzoyl chloride?
The canonical SMILES for 4-amino-3-(2-phenylethenyl)benzoyl chloride is Nc1ccc(C(=O)Cl)cc1C=Cc1ccccc1.
What is the InChIKey of 4-amino-3-(2-phenylethenyl)benzoyl chloride?
The InChIKey is FVOVYPJURFWAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-15(18)13-8-9-14(17)12(10-13)7-6-11-4-2-1-3-5-11/h1-10H,17H2.
What are the key properties of 4-amino-3-(2-phenylethenyl)benzoyl chloride?
4-amino-3-(2-phenylethenyl)benzoyl chloride has a molecular weight of 257.72 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-phenylethenyl)benzoyl chloride is sourced from PubChem (CID 174665698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).