3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide

C10H9ClFNO — CID 169481644

IUPAC3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide
SMILESCc1cc(Cl)c(C=CC(N)=O)cc1F
InChIInChI=1S/C10H9ClFNO/c1-6-4-8(11)7(5-9(6)12)2-3-10(13)14/h2-5H,1H3,(H2,13,14)
InChIKeyMIDVLWDLCDOMON-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.29
Rot. Bonds2

About 3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide

3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide (PubChem CID 169481644) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide
PubChem CID169481644
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide
SMILESCc1cc(Cl)c(C=CC(N)=O)cc1F
InChIInChI=1S/C10H9ClFNO/c1-6-4-8(11)7(5-9(6)12)2-3-10(13)14/h2-5H,1H3,(H2,13,14)
InChIKeyMIDVLWDLCDOMON-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide
CID 55267143
N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
CID 169465270
(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide
CID 131497818
ethyl 3-(2,4-dichloro-5-fluorophenyl)prop-2-enoate
CID 54245731
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide
CID 169482171
methyl 2-amino-5-(3-amino-3-oxoprop-1-enyl)-4-chlorobenzoate
CID 169482798
3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482778
3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 169482535
3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide
CID 116850996
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide
CID 131233134
4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
CID 170797729

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide?
The IUPAC name of 3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide (CID 169481644) is 3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide is Cc1cc(Cl)c(C=CC(N)=O)cc1F.
What is the InChIKey of 3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide?
The InChIKey is MIDVLWDLCDOMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c1-6-4-8(11)7(5-9(6)12)2-3-10(13)14/h2-5H,1H3,(H2,13,14).
What are the key properties of 3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide?
3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide has a molecular weight of 213.64 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 169481644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).