2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide

C17H14ClNO3 — CID 52921217

IUPAC2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C17H14ClNO3/c18-15-4-2-1-3-12(15)7-10-16(20)13-5-8-14(9-6-13)22-11-17(19)21/h1-10H,11H2,(H2,19,21)/b10-7+
InChIKeySCGYHXUSYNMFDH-JXMROGBWSA-N
MW315.76 g/mol
LogP3.10
Rot. Bonds6

About 2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide

2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide (PubChem CID 52921217) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
PubChem CID52921217
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C17H14ClNO3/c18-15-4-2-1-3-12(15)7-10-16(20)13-5-8-14(9-6-13)22-11-17(19)21/h1-10H,11H2,(H2,19,21)/b10-7+
InChIKeySCGYHXUSYNMFDH-JXMROGBWSA-N
XLogP3.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-3-(2,3,6-trichlorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52920629
2-[4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenoxy]acetamide
CID 52920702
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5175101
[4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate
CID 3501825
2-[4-bromo-2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52920562
2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921216
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921212
(E)-3-(2-chlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 11842511
methyl 2-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenoxy]acetate
CID 60601226
ethyl (E)-4-(2-chlorophenyl)-2-oxobut-3-enoate
CID 53386631
(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
CID 155817922
2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate
CID 4980822

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide (CID 52921217) is 2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide is NC(=O)COc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of 2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide?
The InChIKey is SCGYHXUSYNMFDH-JXMROGBWSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-15-4-2-1-3-12(15)7-10-16(20)13-5-8-14(9-6-13)22-11-17(19)21/h1-10H,11H2,(H2,19,21)/b10-7+.
What are the key properties of 2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide?
2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide has a molecular weight of 315.76 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenoxy]acetamide is sourced from PubChem (CID 52921217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).