N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide

C28H28ClN3O3 — CID 10435661

IUPACN-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C28H28ClN3O3/c29-23-11-13-24(14-12-23)31-28(35)22(18-20-6-2-1-3-7-20)19-30-27(34)21-9-15-25(16-10-21)32-17-5-4-8-26(32)33/h1-3,6-7,9-16,22H,4-5,8,17-19H2,(H,30,34)(H,31,35)
InChIKeyIOPDUPXDOAEWFK-UHFFFAOYSA-N
MW490.00 g/mol
LogP5.08
Rot. Bonds8

About N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide

N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 10435661) has the molecular formula C28H28ClN3O3 and a molecular weight of 490.00 g/mol. Its IUPAC name is N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID10435661
Molecular FormulaC28H28ClN3O3
Molecular Weight490.00 g/mol
Exact Mass489.18
IUPAC NameN-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C28H28ClN3O3/c29-23-11-13-24(14-12-23)31-28(35)22(18-20-6-2-1-3-7-20)19-30-27(34)21-9-15-25(16-10-21)32-17-5-4-8-26(32)33/h1-3,6-7,9-16,22H,4-5,8,17-19H2,(H,30,34)(H,31,35)
InChIKeyIOPDUPXDOAEWFK-UHFFFAOYSA-N
XLogP5.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.00
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 69441854
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
2-[(3-methylphenyl)methyl]-3-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]propanoic acid
CID 119242843
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
(2S)-2-benzyl-3-[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]amino]propanoic acid
CID 125152279
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952921
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735
3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide
CID 174461676
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 55355341

Frequently Asked Questions

What is the IUPAC name of N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide (CID 10435661) is N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide is O=C(NCC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is IOPDUPXDOAEWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O3/c29-23-11-13-24(14-12-23)31-28(35)22(18-20-6-2-1-3-7-20)19-30-27(34)21-9-15-25(16-10-21)32-17-5-4-8-26(32)33/h1-3,6-7,9-16,22H,4-5,8,17-19H2,(H,30,34)(H,31,35).
What are the key properties of N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 490.00 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 10435661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).