2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide

C28H35Cl2N3O3 — CID 23531224

IUPAC2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide
SMILESCC(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CCN2CCOCC2)CCCC1
InChIInChI=1S/C28H35Cl2N3O3/c1-20(31-27(35)28(11-2-3-12-28)13-14-33-15-17-36-18-16-33)19-21-7-9-22(10-8-21)32-26(34)25-23(29)5-4-6-24(25)30/h4-10,20H,2-3,11-19H2,1H3,(H,31,35)(H,32,34)
InChIKeyAFWRVHLMDNJAFU-UHFFFAOYSA-N
MW532.51 g/mol
LogP5.58
Rot. Bonds9

About 2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide

2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide (PubChem CID 23531224) has the molecular formula C28H35Cl2N3O3 and a molecular weight of 532.51 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide
PubChem CID23531224
Molecular FormulaC28H35Cl2N3O3
Molecular Weight532.51 g/mol
Exact Mass531.21
IUPAC Name2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide
SMILESCC(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CCN2CCOCC2)CCCC1
InChIInChI=1S/C28H35Cl2N3O3/c1-20(31-27(35)28(11-2-3-12-28)13-14-33-15-17-36-18-16-33)19-21-7-9-22(10-8-21)32-26(34)25-23(29)5-4-6-24(25)30/h4-10,20H,2-3,11-19H2,1H3,(H,31,35)(H,32,34)
InChIKeyAFWRVHLMDNJAFU-UHFFFAOYSA-N
XLogP5.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.51
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide with MolForge

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Related Compounds

2-morpholin-4-ylethyl (2S)-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-(2-methoxyethyl)cyclopentanecarbonyl]amino]propanoate
CID 10129279
2,6-dichloro-N-[4-[2-[[1-(3-methylsulfanylpropyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide
CID 23531232
2,6-dichloro-N-[4-[2-[[1-(3-methylsulfonylpropyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide
CID 23531234
2,6-dichloro-N-[4-[2-[[1-(4-methylsulfanylbutyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide
CID 23531245
(2S)-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-[2-(methanesulfonamido)ethyl]cyclopentanecarbonyl]amino]propanoic acid
CID 10196654
(2S)-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-(2-methylsulfanylethyl)cyclopentanecarbonyl]amino]propanoic acid;(2S)-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-(2-methylsulfinylethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 159448138
2,6-dichloro-N-[4-[2-[[1-(2-methoxyethyl)cyclopentanecarbothioyl]amino]-3-oxobutyl]phenyl]benzamide
CID 22954332
(2S)-2-[[1-(2-aminoethyl)cyclopentanecarbonyl]-methylamino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid
CID 142645773
methyl 2-[[1-(2-aminoethyl)cyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;methyl 2-[[1-(2-azidoethyl)cyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate
CID 161487501
3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-[(4-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]propanoic acid
CID 22660197
methyl 2-[[1-(4-aminobutyl)cyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;methyl 2-[[1-(4-azidobutyl)cyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate
CID 159461712
3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-[2-(methylcarbamoylamino)ethyl]cyclopentanecarbonyl]amino]propanoic acid;methyl 2-[[1-(2-aminoethyl)cyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate
CID 162002556

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide (CID 23531224) is 2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide is CC(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CCN2CCOCC2)CCCC1.
What is the InChIKey of 2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide?
The InChIKey is AFWRVHLMDNJAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35Cl2N3O3/c1-20(31-27(35)28(11-2-3-12-28)13-14-33-15-17-36-18-16-33)19-21-7-9-22(10-8-21)32-26(34)25-23(29)5-4-6-24(25)30/h4-10,20H,2-3,11-19H2,1H3,(H,31,35)(H,32,34).
What are the key properties of 2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide?
2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide has a molecular weight of 532.51 g/mol, XLogP of 5.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide is sourced from PubChem (CID 23531224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).