N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide

C26H24ClNO4 — CID 4583304

IUPACN-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C26H24ClNO4/c1-17(2)32-23-13-9-18(15-24(23)31-3)10-14-25(29)28-22-12-11-20(27)16-21(22)26(30)19-7-5-4-6-8-19/h4-17H,1-3H3,(H,28,29)
InChIKeyQTBQUZUDPYTUTF-UHFFFAOYSA-N
MW449.93 g/mol
LogP6.02
Rot. Bonds8

About N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide

N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 4583304) has the molecular formula C26H24ClNO4 and a molecular weight of 449.93 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID4583304
Molecular FormulaC26H24ClNO4
Molecular Weight449.93 g/mol
Exact Mass449.14
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C26H24ClNO4/c1-17(2)32-23-13-9-18(15-24(23)31-3)10-14-25(29)28-22-12-11-20(27)16-21(22)26(30)19-7-5-4-6-8-19/h4-17H,1-3H3,(H,28,29)
InChIKeyQTBQUZUDPYTUTF-UHFFFAOYSA-N
XLogP6.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.93
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 5044493
N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 2788968
N-(2-acetylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 75981698
(E)-N-(2-formylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 89064888
N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4184511
N-(2,3-dichlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 76859978
(E)-N-(2-fluoro-4-methylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 26699608
(E)-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2248694
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 4583429
N-(2-benzoyl-4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4652681
(E)-N-(2-benzoyl-4-chlorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 6121168
N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 4512617

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide (CID 4583304) is N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC(C)C.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is QTBQUZUDPYTUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO4/c1-17(2)32-23-13-9-18(15-24(23)31-3)10-14-25(29)28-22-12-11-20(27)16-21(22)26(30)19-7-5-4-6-8-19/h4-17H,1-3H3,(H,28,29).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 449.93 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 4583304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).