(Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide

C28H20Cl2N2O2 — CID 19648563

IUPAC(Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide
SMILESO=C(Nc1cccc2c(NC(=O)/C(Cl)=C\c3ccccc3)cccc12)/C(Cl)=C/c1ccccc1
InChIInChI=1S/C28H20Cl2N2O2/c29-23(17-19-9-3-1-4-10-19)27(33)31-25-15-7-14-22-21(25)13-8-16-26(22)32-28(34)24(30)18-20-11-5-2-6-12-20/h1-18H,(H,31,33)(H,32,34)/b23-17-,24-18+
InChIKeyAORPHJVPABVZSL-QFFDILLMSA-N
MW487.39 g/mol
LogP7.28
Rot. Bonds6

About (Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide

(Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide (PubChem CID 19648563) has the molecular formula C28H20Cl2N2O2 and a molecular weight of 487.39 g/mol. Its IUPAC name is (Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide
PubChem CID19648563
Molecular FormulaC28H20Cl2N2O2
Molecular Weight487.39 g/mol
Exact Mass486.09
IUPAC Name(Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide
SMILESO=C(Nc1cccc2c(NC(=O)/C(Cl)=C\c3ccccc3)cccc12)/C(Cl)=C/c1ccccc1
InChIInChI=1S/C28H20Cl2N2O2/c29-23(17-19-9-3-1-4-10-19)27(33)31-25-15-7-14-22-21(25)13-8-16-26(22)32-28(34)24(30)18-20-11-5-2-6-12-20/h1-18H,(H,31,33)(H,32,34)/b23-17-,24-18+
InChIKeyAORPHJVPABVZSL-QFFDILLMSA-N
XLogP7.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide
CID 5207908
(Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide
CID 909593
2-[[(Z)-2-chloro-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 156597695
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
2-chloro-N-(3,4-dimethylphenyl)-3-phenylprop-2-enamide
CID 686992
methyl 4-[[(Z)-2-chloro-3-phenylprop-2-enoyl]amino]benzoate
CID 884962
(E)-2-chloro-3-phenylprop-2-enamide
CID 909679
2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
CID 18859812
N'-(5-hydroxynaphthalen-1-yl)-N-(2-hydroxyphenyl)oxamide
CID 108509252
2-chloro-N-(ethylsulfonylmethyl)-3-phenylprop-2-enamide
CID 88653482
N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide
CID 45054176
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]-N-naphthalen-1-yloxamide
CID 3350985

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide (CID 19648563) is (Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide is O=C(Nc1cccc2c(NC(=O)/C(Cl)=C\c3ccccc3)cccc12)/C(Cl)=C/c1ccccc1.
What is the InChIKey of (Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide?
The InChIKey is AORPHJVPABVZSL-QFFDILLMSA-N. The full InChI is InChI=1S/C28H20Cl2N2O2/c29-23(17-19-9-3-1-4-10-19)27(33)31-25-15-7-14-22-21(25)13-8-16-26(22)32-28(34)24(30)18-20-11-5-2-6-12-20/h1-18H,(H,31,33)(H,32,34)/b23-17-,24-18+.
What are the key properties of (Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide?
(Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide has a molecular weight of 487.39 g/mol, XLogP of 7.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-N-[5-[[(E)-2-chloro-3-phenylprop-2-enoyl]amino]naphthalen-1-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 19648563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).