2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid

C24H20ClNO5 — CID 162350839

IUPAC2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid
SMILESO=C(O)CC(c1ccccc1)C(NC(=O)c1ccccc1)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClNO5/c25-19-13-11-18(12-14-19)24(23(30)31,26-22(29)17-9-5-2-6-10-17)20(15-21(27)28)16-7-3-1-4-8-16/h1-14,20H,15H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyYHSFVUBTZRNGMI-UHFFFAOYSA-N
MW437.88 g/mol
LogP4.31
Rot. Bonds8

About 2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid

2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid (PubChem CID 162350839) has the molecular formula C24H20ClNO5 and a molecular weight of 437.88 g/mol. Its IUPAC name is 2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid.

Molecular Properties

Compound Name2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid
PubChem CID162350839
Molecular FormulaC24H20ClNO5
Molecular Weight437.88 g/mol
Exact Mass437.10
IUPAC Name2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid
SMILESO=C(O)CC(c1ccccc1)C(NC(=O)c1ccccc1)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClNO5/c25-19-13-11-18(12-14-19)24(23(30)31,26-22(29)17-9-5-2-6-10-17)20(15-21(27)28)16-7-3-1-4-8-16/h1-14,20H,15H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyYHSFVUBTZRNGMI-UHFFFAOYSA-N
XLogP4.31
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-2-(4-methoxyphenyl)-3-phenylpentanedioic acid
CID 162350832
2-benzamido-2,3-bis(4-methylphenyl)pentanedioic acid
CID 162350853
2-benzamido-3-(4-methoxyphenyl)-2-phenylpentanedioic acid
CID 162350857
(4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate
CID 18277631
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid
CID 23909275
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide
CID 11024937
3-chloro-3-phenylpropanoic acid
CID 22742526

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid?
The IUPAC name of 2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid (CID 162350839) is 2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid.
What is the SMILES notation for 2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid?
The canonical SMILES for 2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid is O=C(O)CC(c1ccccc1)C(NC(=O)c1ccccc1)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid?
The InChIKey is YHSFVUBTZRNGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO5/c25-19-13-11-18(12-14-19)24(23(30)31,26-22(29)17-9-5-2-6-10-17)20(15-21(27)28)16-7-3-1-4-8-16/h1-14,20H,15H2,(H,26,29)(H,27,28)(H,30,31).
What are the key properties of 2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid?
2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid has a molecular weight of 437.88 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-2-(4-chlorophenyl)-3-phenylpentanedioic acid is sourced from PubChem (CID 162350839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).