N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide

C27H21Cl2NO3 — CID 4167424

IUPACN-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1
InChIInChI=1S/C27H21Cl2NO3/c28-22-17-20(30-26(32)12-6-11-23(31)19-8-2-1-3-9-19)14-16-24(22)33-25-15-13-18-7-4-5-10-21(18)27(25)29/h1-5,7-10,13-17H,6,11-12H2,(H,30,32)
InChIKeyIKIBZCWQHODKHT-UHFFFAOYSA-N
MW478.38 g/mol
LogP7.93
Rot. Bonds8

About N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide

N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide (PubChem CID 4167424) has the molecular formula C27H21Cl2NO3 and a molecular weight of 478.38 g/mol. Its IUPAC name is N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide
PubChem CID4167424
Molecular FormulaC27H21Cl2NO3
Molecular Weight478.38 g/mol
Exact Mass477.09
IUPAC NameN-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1
InChIInChI=1S/C27H21Cl2NO3/c28-22-17-20(30-26(32)12-6-11-23(31)19-8-2-1-3-9-19)14-16-24(22)33-25-15-13-18-7-4-5-10-21(18)27(25)29/h1-5,7-10,13-17H,6,11-12H2,(H,30,32)
InChIKeyIKIBZCWQHODKHT-UHFFFAOYSA-N
XLogP7.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.38
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide 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

N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-3-(2-chlorophenyl)prop-2-enamide
CID 52940521
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide
CID 162650394
N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
CID 108807598
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
[2-(3,4-dichloroanilino)-2-oxoethyl] 5-(4-naphthalen-1-yloxyanilino)-5-oxopentanoate
CID 17260199
methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate
CID 110306530
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
4-[3-chloro-4-(4-chlorophenoxy)anilino]-4-oxobutanoic acid
CID 3746788
5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3894691
methyl 4-chloro-3-[(5-oxo-5-phenylpentanoyl)amino]benzoate
CID 110356123
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide?
The IUPAC name of N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide (CID 4167424) is N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide is O=C(CCCC(=O)c1ccccc1)Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide?
The InChIKey is IKIBZCWQHODKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2NO3/c28-22-17-20(30-26(32)12-6-11-23(31)19-8-2-1-3-9-19)14-16-24(22)33-25-15-13-18-7-4-5-10-21(18)27(25)29/h1-5,7-10,13-17H,6,11-12H2,(H,30,32).
What are the key properties of N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide?
N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide has a molecular weight of 478.38 g/mol, XLogP of 7.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 4167424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).