(E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one

C16H14ClNO — CID 132918811

IUPAC(E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one
SMILESCNc1ccccc1C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO/c1-18-15-5-3-2-4-14(15)16(19)11-8-12-6-9-13(17)10-7-12/h2-11,18H,1H3/b11-8+
InChIKeyNRSRPFPPTVCNDN-DHZHZOJOSA-N
MW271.75 g/mol
LogP4.28
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one

(E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one (PubChem CID 132918811) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one
PubChem CID132918811
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one
SMILESCNc1ccccc1C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO/c1-18-15-5-3-2-4-14(15)16(19)11-8-12-6-9-13(17)10-7-12/h2-11,18H,1H3/b11-8+
InChIKeyNRSRPFPPTVCNDN-DHZHZOJOSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 582919
(E)-1-[2-(methylamino)phenyl]-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 101387457
2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]benzoate
CID 42485639
2-(methylamino)-7-[(E)-3-pyridin-4-ylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one
CID 24824996
sodium 2-[3-(4-chlorophenyl)prop-2-enoyl]benzoate
CID 71831425
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
N-[2-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 175343363
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline
CID 11509241
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
N-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]-2-(methylamino)benzamide
CID 171390806
3-(4-tert-butylphenyl)-1-(2-chlorophenyl)prop-2-en-1-one
CID 131632724

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one (CID 132918811) is (E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one is CNc1ccccc1C(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one?
The InChIKey is NRSRPFPPTVCNDN-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-18-15-5-3-2-4-14(15)16(19)11-8-12-6-9-13(17)10-7-12/h2-11,18H,1H3/b11-8+.
What are the key properties of (E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one?
(E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one has a molecular weight of 271.75 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one is sourced from PubChem (CID 132918811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).