2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide

C22H24ClN5O4 — CID 69439819

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide
SMILESNC(=O)CC(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C22H24ClN5O4/c23-14-4-6-16(7-5-14)26-22(32)27-18(13-19(24)29)21(31)25-15-8-10-17(11-9-15)28-12-2-1-3-20(28)30/h4-11,18H,1-3,12-13H2,(H2,24,29)(H,25,31)(H2,26,27,32)
InChIKeyXIOBCXWJRJVQDR-UHFFFAOYSA-N
MW457.92 g/mol
LogP2.86
Rot. Bonds7

About 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide

2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide (PubChem CID 69439819) has the molecular formula C22H24ClN5O4 and a molecular weight of 457.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide
PubChem CID69439819
Molecular FormulaC22H24ClN5O4
Molecular Weight457.92 g/mol
Exact Mass457.15
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide
SMILESNC(=O)CC(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C22H24ClN5O4/c23-14-4-6-16(7-5-14)26-22(32)27-18(13-19(24)29)21(31)25-15-8-10-17(11-9-15)28-12-2-1-3-20(28)30/h4-11,18H,1-3,12-13H2,(H2,24,29)(H,25,31)(H2,26,27,32)
InChIKeyXIOBCXWJRJVQDR-UHFFFAOYSA-N
XLogP2.86
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide
CID 69437433
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 94028198
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952921
4-(amino-methyl-oxo-λ6-sulfanylidene)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]butanamide
CID 90846289
N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 69441854
N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 10435661
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026013
(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 11754720

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide (CID 69439819) is 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide is NC(=O)CC(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide?
The InChIKey is XIOBCXWJRJVQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O4/c23-14-4-6-16(7-5-14)26-22(32)27-18(13-19(24)29)21(31)25-15-8-10-17(11-9-15)28-12-2-1-3-20(28)30/h4-11,18H,1-3,12-13H2,(H2,24,29)(H,25,31)(H2,26,27,32).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide?
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide has a molecular weight of 457.92 g/mol, XLogP of 2.86, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide is sourced from PubChem (CID 69439819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).