3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide

C14H10ClN3O3 — CID 3289911

IUPAC3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H10ClN3O3/c15-12-4-2-1-3-10(12)5-8-14(19)17-13-7-6-11(9-16-13)18(20)21/h1-9H,(H,16,17,19)
InChIKeyANUPDCQPMRETRQ-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.30
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide

3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide (PubChem CID 3289911) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
PubChem CID3289911
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H10ClN3O3/c15-12-4-2-1-3-10(12)5-8-14(19)17-13-7-6-11(9-16-13)18(20)21/h1-9H,(H,16,17,19)
InChIKeyANUPDCQPMRETRQ-UHFFFAOYSA-N
XLogP3.30
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6025623
N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
3-(2-chlorophenyl)-N-[(4-nitrophenyl)carbamothioyl]prop-2-enamide
CID 4508069
(E)-3-(2-chlorophenyl)-N-[(4-nitrophenyl)carbamothioyl]prop-2-enamide
CID 6133641
3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 2905603
N-(2-chloro-4-nitrophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 3364955
N-(5-nitro-2-pyridinyl)-2,2-diphenylacetamide
CID 2867447
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
3-(2-chlorophenyl)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]prop-2-enamide
CID 4508499
N-(5-iodo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
CID 76873790
(E)-3-(4-chloro-3-nitrophenyl)-N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 21213207

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide (CID 3289911) is 3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide is O=C(C=Cc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide?
The InChIKey is ANUPDCQPMRETRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-12-4-2-1-3-10(12)5-8-14(19)17-13-7-6-11(9-16-13)18(20)21/h1-9H,(H,16,17,19).
What are the key properties of 3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide?
3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide has a molecular weight of 303.71 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 3289911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).