4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide

C26H28N4O2 — CID 58867650

IUPAC4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)C1
InChIInChI=1S/C26H28N4O2/c1-29(2)24-16-17-30(18-24)23-14-12-22(13-15-23)28-26(32)20-8-10-21(11-9-20)27-25(31)19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyATNNNPJDCZKETA-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.33
Rot. Bonds6

About 4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide

4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide (PubChem CID 58867650) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
PubChem CID58867650
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)C1
InChIInChI=1S/C26H28N4O2/c1-29(2)24-16-17-30(18-24)23-14-12-22(13-15-23)28-26(32)20-8-10-21(11-9-20)27-25(31)19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyATNNNPJDCZKETA-UHFFFAOYSA-N
XLogP4.33
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867523
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 58866547
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 21105613
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-4-(benzenesulfonyl)benzamide
CID 67147935
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 58866923
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-phenoxy-3-(trifluoromethyl)benzamide
CID 58867681
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 142931733
4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867737
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
1-benzyl-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2,3-dimethylindole-5-carboxamide
CID 58866413
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-phenoxyfuran-2-carboxamide
CID 58866897

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
The IUPAC name of 4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide (CID 58867650) is 4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
The canonical SMILES for 4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide is CN(C)C1CCN(c2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)C1.
What is the InChIKey of 4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
The InChIKey is ATNNNPJDCZKETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-29(2)24-16-17-30(18-24)23-14-12-22(13-15-23)28-26(32)20-8-10-21(11-9-20)27-25(31)19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide has a molecular weight of 428.54 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 58867650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).