4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

C23H25ClF2N2O3 — CID 112836632

IUPAC4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C23H25ClF2N2O3/c1-14(2)21(27-22(29)15-3-5-16(24)6-4-15)23(30)28-11-9-18(10-12-28)31-20-8-7-17(25)13-19(20)26/h3-8,13-14,18,21H,9-12H2,1-2H3,(H,27,29)
InChIKeyADOADKQNXNAMFM-UHFFFAOYSA-N
MW450.91 g/mol
LogP4.44
Rot. Bonds6

About 4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 112836632) has the molecular formula C23H25ClF2N2O3 and a molecular weight of 450.91 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID112836632
Molecular FormulaC23H25ClF2N2O3
Molecular Weight450.91 g/mol
Exact Mass450.15
IUPAC Name4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C23H25ClF2N2O3/c1-14(2)21(27-22(29)15-3-5-16(24)6-4-15)23(30)28-11-9-18(10-12-28)31-20-8-7-17(25)13-19(20)26/h3-8,13-14,18,21H,9-12H2,1-2H3,(H,27,29)
InChIKeyADOADKQNXNAMFM-UHFFFAOYSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.91
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 97259925
2-(3-chlorophenoxy)-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]propan-1-one
CID 112836372
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 119662801
2-(3,4-dichlorophenoxy)-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]propan-1-one
CID 112836556
[(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 95869074
4-chloro-N-[(2S)-1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 43002401
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
CID 55520284
2-amino-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120986431
2-(4-bromophenoxy)-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]propan-1-one
CID 112836343
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119486980
ethyl 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate
CID 78780462

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide (CID 112836632) is 4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is ADOADKQNXNAMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N2O3/c1-14(2)21(27-22(29)15-3-5-16(24)6-4-15)23(30)28-11-9-18(10-12-28)31-20-8-7-17(25)13-19(20)26/h3-8,13-14,18,21H,9-12H2,1-2H3,(H,27,29).
What are the key properties of 4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide?
4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 450.91 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 112836632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).