2-chloro-N-(4-methoxyphenyl)prop-2-enamide

C10H10ClNO2 — CID 29979

IUPAC2-chloro-N-(4-methoxyphenyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C10H10ClNO2/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8/h3-6H,1H2,2H3,(H,12,13)
InChIKeyIWNLJOLKSABWQH-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.39
Rot. Bonds3

About 2-chloro-N-(4-methoxyphenyl)prop-2-enamide

2-chloro-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 29979) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID29979
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-chloro-N-(4-methoxyphenyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C10H10ClNO2/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8/h3-6H,1H2,2H3,(H,12,13)
InChIKeyIWNLJOLKSABWQH-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.39
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

2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
N'-(4-methoxyphenyl)-N-prop-2-enyloxamide
CID 3102348
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)oxamide
CID 44995875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)prop-2-enamide (CID 29979) is 2-chloro-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)prop-2-enamide is C=C(Cl)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is IWNLJOLKSABWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-7(11)10(13)12-8-3-5-9(14-2)6-4-8/h3-6H,1H2,2H3,(H,12,13).
What are the key properties of 2-chloro-N-(4-methoxyphenyl)prop-2-enamide?
2-chloro-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 211.65 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 29979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).