2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide

C25H32Cl2N2O2 — CID 23531303

IUPAC2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide
SMILESCCCCC(C)(CC)C(=O)NC(C)Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C25H32Cl2N2O2/c1-5-7-15-25(4,6-2)24(31)28-17(3)16-18-11-13-19(14-12-18)29-23(30)22-20(26)9-8-10-21(22)27/h8-14,17H,5-7,15-16H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyWSKBDLUKYNILCI-UHFFFAOYSA-N
MW463.45 g/mol
LogP6.90
Rot. Bonds10

About 2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide

2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide (PubChem CID 23531303) has the molecular formula C25H32Cl2N2O2 and a molecular weight of 463.45 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide
PubChem CID23531303
Molecular FormulaC25H32Cl2N2O2
Molecular Weight463.45 g/mol
Exact Mass462.18
IUPAC Name2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide
SMILESCCCCC(C)(CC)C(=O)NC(C)Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C25H32Cl2N2O2/c1-5-7-15-25(4,6-2)24(31)28-17(3)16-18-11-13-19(14-12-18)29-23(30)22-20(26)9-8-10-21(22)27/h8-14,17H,5-7,15-16H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyWSKBDLUKYNILCI-UHFFFAOYSA-N
XLogP6.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]-2-methyl-5-nitrobenzamide
CID 23531252
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-chloro-6-methylbenzoyl)amino]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid
CID 54097884
propyl 2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate
CID 20653616
methyl (2S)-2-amino-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride
CID 23383932
(2S)-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[(2-ethyl-6-methylbenzenecarbothioyl)amino]propanoic acid
CID 12042599
3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[(2-ethyl-6-methylbenzoyl)amino]propanoic acid
CID 18469459
2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 146156541
2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide
CID 54928444
2,6-dichloro-N-[4-[2-[[1-(2-morpholin-4-ylethyl)cyclopentanecarbonyl]amino]propyl]phenyl]benzamide
CID 23531224

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide (CID 23531303) is 2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide is CCCCC(C)(CC)C(=O)NC(C)Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide?
The InChIKey is WSKBDLUKYNILCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O2/c1-5-7-15-25(4,6-2)24(31)28-17(3)16-18-11-13-19(14-12-18)29-23(30)22-20(26)9-8-10-21(22)27/h8-14,17H,5-7,15-16H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of 2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide?
2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide has a molecular weight of 463.45 g/mol, XLogP of 6.90, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-[2-[(2-ethyl-2-methylhexanoyl)amino]propyl]phenyl]benzamide is sourced from PubChem (CID 23531303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).