3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide

C14H11ClN2O — CID 4677727

IUPAC3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)Nc1ccccn1
InChIInChI=1S/C14H11ClN2O/c15-12-5-3-4-11(10-12)7-8-14(18)17-13-6-1-2-9-16-13/h1-10H,(H,16,17,18)
InChIKeyRFUGJTLMGOHFSA-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.39
Rot. Bonds3

About 3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide

3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 4677727) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID4677727
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)Nc1ccccn1
InChIInChI=1S/C14H11ClN2O/c15-12-5-3-4-11(10-12)7-8-14(18)17-13-6-1-2-9-16-13/h1-10H,(H,16,17,18)
InChIKeyRFUGJTLMGOHFSA-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.39
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

3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
CID 4548014
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(E)-3-(4-aminophenyl)-N-pyridin-2-ylprop-2-enamide
CID 115342586
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618948
N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 4181979
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-2-ylprop-2-enamide
CID 110488977

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide (CID 4677727) is 3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide is O=C(C=Cc1cccc(Cl)c1)Nc1ccccn1.
What is the InChIKey of 3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is RFUGJTLMGOHFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-12-5-3-4-11(10-12)7-8-14(18)17-13-6-1-2-9-16-13/h1-10H,(H,16,17,18).
What are the key properties of 3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide?
3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 258.71 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 4677727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).