N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide

C15H11ClN2O3 — CID 692314

IUPACN-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O3/c16-12-5-7-13(8-6-12)17-15(19)9-4-11-2-1-3-14(10-11)18(20)21/h1-10H,(H,17,19)
InChIKeyWNVAWJJIKAHJKR-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.90
Rot. Bonds4

About N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide

N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 692314) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID692314
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC NameN-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O3/c16-12-5-7-13(8-6-12)17-15(19)9-4-11-2-1-3-14(10-11)18(20)21/h1-10H,(H,17,19)
InChIKeyWNVAWJJIKAHJKR-UHFFFAOYSA-N
XLogP3.90
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
(E)-3-(3-nitrophenyl)-N-[4-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 18284824
(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6266202
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
N-(3-acetamido-4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 103598612
3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5200736
N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]butanamide
CID 17202592
(E)-N-(5-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 884286
(E)-3-(3-nitrophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 38175952
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 881540

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 692314) is N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide is O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is WNVAWJJIKAHJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-12-5-7-13(8-6-12)17-15(19)9-4-11-2-1-3-14(10-11)18(20)21/h1-10H,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 302.72 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 692314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).