N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide

C25H16Cl3NO2 — CID 52940521

IUPACN-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1
InChIInChI=1S/C25H16Cl3NO2/c26-20-8-4-2-6-17(20)10-14-24(30)29-18-11-13-22(21(27)15-18)31-23-12-9-16-5-1-3-7-19(16)25(23)28/h1-15H,(H,29,30)
InChIKeyGWXVZQIMAZHKAH-UHFFFAOYSA-N
MW468.77 g/mol
LogP8.24
Rot. Bonds5

About N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide

N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide (PubChem CID 52940521) has the molecular formula C25H16Cl3NO2 and a molecular weight of 468.77 g/mol. Its IUPAC name is N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide
PubChem CID52940521
Molecular FormulaC25H16Cl3NO2
Molecular Weight468.77 g/mol
Exact Mass467.02
IUPAC NameN-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1
InChIInChI=1S/C25H16Cl3NO2/c26-20-8-4-2-6-17(20)10-14-24(30)29-18-11-13-22(21(27)15-18)31-23-12-9-16-5-1-3-7-19(16)25(23)28/h1-15H,(H,29,30)
InChIKeyGWXVZQIMAZHKAH-UHFFFAOYSA-N
XLogP8.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.77
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-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

(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide
CID 4167424
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949
(E)-3-(2-chlorophenyl)-N-[4-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 6242476
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2590853
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103
3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 692605
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methylphenyl]prop-2-enamide
CID 6234801
(E)-3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)carbamothioyl]prop-2-enamide
CID 54781507
(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2169951

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide (CID 52940521) is N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide is O=C(C=Cc1ccccc1Cl)Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide?
The InChIKey is GWXVZQIMAZHKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl3NO2/c26-20-8-4-2-6-17(20)10-14-24(30)29-18-11-13-22(21(27)15-18)31-23-12-9-16-5-1-3-7-19(16)25(23)28/h1-15H,(H,29,30).
What are the key properties of N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide?
N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide has a molecular weight of 468.77 g/mol, XLogP of 8.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 52940521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).