2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide

C29H25Cl2N3O3 — CID 42726419

IUPAC2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
SMILESCc1ccc(NC(=O)N(CCNC(=O)c2ccc(Cl)cc2Cl)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C29H25Cl2N3O3/c1-20-7-10-22(11-8-20)33-29(36)34(18-17-32-28(35)26-16-9-21(30)19-27(26)31)23-12-14-25(15-13-23)37-24-5-3-2-4-6-24/h2-16,19H,17-18H2,1H3,(H,32,35)(H,33,36)
InChIKeyJQHBCFLGAAYESA-UHFFFAOYSA-N
MW534.44 g/mol
LogP7.56
Rot. Bonds8

About 2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide

2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide (PubChem CID 42726419) has the molecular formula C29H25Cl2N3O3 and a molecular weight of 534.44 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
PubChem CID42726419
Molecular FormulaC29H25Cl2N3O3
Molecular Weight534.44 g/mol
Exact Mass533.13
IUPAC Name2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
SMILESCc1ccc(NC(=O)N(CCNC(=O)c2ccc(Cl)cc2Cl)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C29H25Cl2N3O3/c1-20-7-10-22(11-8-20)33-29(36)34(18-17-32-28(35)26-16-9-21(30)19-27(26)31)23-12-14-25(15-13-23)37-24-5-3-2-4-6-24/h2-16,19H,17-18H2,1H3,(H,32,35)(H,33,36)
InChIKeyJQHBCFLGAAYESA-UHFFFAOYSA-N
XLogP7.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.44
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 4210938
4-tert-butyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
CID 42726194
1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1-(4-phenoxyphenyl)urea
CID 42657933
2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 5000585
N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3-nitrobenzamide
CID 42708263
N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
CID 42704589
3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide
CID 42725939
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
N-[3-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]-2-phenylbutanamide
CID 42704458
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide
CID 42706752
2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 4661824

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide (CID 42726419) is 2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide is Cc1ccc(NC(=O)N(CCNC(=O)c2ccc(Cl)cc2Cl)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide?
The InChIKey is JQHBCFLGAAYESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl2N3O3/c1-20-7-10-22(11-8-20)33-29(36)34(18-17-32-28(35)26-16-9-21(30)19-27(26)31)23-12-14-25(15-13-23)37-24-5-3-2-4-6-24/h2-16,19H,17-18H2,1H3,(H,32,35)(H,33,36).
What are the key properties of 2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide?
2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide has a molecular weight of 534.44 g/mol, XLogP of 7.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide is sourced from PubChem (CID 42726419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).