(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one

C15H12ClNO — CID 155817922

IUPAC(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
SMILESNc1cccc(C(=O)/C=C/c2ccccc2Cl)c1
InChIInChI=1S/C15H12ClNO/c16-14-7-2-1-4-11(14)8-9-15(18)12-5-3-6-13(17)10-12/h1-10H,17H2/b9-8+
InChIKeyXLUMVDNTJYXOGJ-CMDGGOBGSA-N
MW257.72 g/mol
LogP3.82
Rot. Bonds3

About (E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one

(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one (PubChem CID 155817922) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is (E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
PubChem CID155817922
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
SMILESNc1cccc(C(=O)/C=C/c2ccccc2Cl)c1
InChIInChI=1S/C15H12ClNO/c16-14-7-2-1-4-11(14)8-9-15(18)12-5-3-6-13(17)10-12/h1-10H,17H2/b9-8+
InChIKeyXLUMVDNTJYXOGJ-CMDGGOBGSA-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 7945580
(E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one
CID 155817920
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5175101
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
(E)-3-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 11842511
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
(E)-3-[3-[(E)-3-(3-aminophenyl)-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 88915064
2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921217
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
1-(3-aminophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 57365100

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one (CID 155817922) is (E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one is Nc1cccc(C(=O)/C=C/c2ccccc2Cl)c1.
What is the InChIKey of (E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one?
The InChIKey is XLUMVDNTJYXOGJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-14-7-2-1-4-11(14)8-9-15(18)12-5-3-6-13(17)10-12/h1-10H,17H2/b9-8+.
What are the key properties of (E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one?
(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one 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 (E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 155817922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).