N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide

C16H14ClNO2 — CID 773597

IUPACN-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO2/c1-20-15-9-2-12(3-10-15)4-11-16(19)18-14-7-5-13(17)6-8-14/h2-11H,1H3,(H,18,19)
InChIKeyQANKHJVPPFHYMQ-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.00
Rot. Bonds4

About N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide

N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 773597) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID773597
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO2/c1-20-15-9-2-12(3-10-15)4-11-16(19)18-14-7-5-13(17)6-8-14/h2-11H,1H3,(H,18,19)
InChIKeyQANKHJVPPFHYMQ-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.00
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)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 883171
3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 874226
(Z)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 22301767
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 773597) is N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is QANKHJVPPFHYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-20-15-9-2-12(3-10-15)4-11-16(19)18-14-7-5-13(17)6-8-14/h2-11H,1H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 287.75 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 773597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).