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

C23H28N4O2 — CID 58867523

IUPAC4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2)C1
InChIInChI=1S/C23H28N4O2/c1-26(2)21-13-14-27(15-21)20-11-9-19(10-12-20)25-23(29)17-5-7-18(8-6-17)24-22(28)16-3-4-16/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyZIQOQRQFPJZWLL-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.43
Rot. Bonds6

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

4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide (PubChem CID 58867523) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
PubChem CID58867523
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2)C1
InChIInChI=1S/C23H28N4O2/c1-26(2)21-13-14-27(15-21)20-11-9-19(10-12-20)25-23(29)17-5-7-18(8-6-17)24-22(28)16-3-4-16/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyZIQOQRQFPJZWLL-UHFFFAOYSA-N
XLogP3.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.43
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-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
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
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-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methyl-3-nitrophenyl)benzamide
CID 58964227
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(3-fluoro-4-pyridinyl)benzamide
CID 58866428
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[(6-methyl-4,5-dihydropyridazin-3-yl)oxy]benzamide
CID 90751752
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 58866702
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-4-(benzenesulfonyl)benzamide
CID 67147935
3-(dihydroxyamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-morpholin-4-ylbenzamide
CID 91416291

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide (CID 58867523) is 4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide is CN(C)C1CCN(c2ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2)C1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
The InChIKey is ZIQOQRQFPJZWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-26(2)21-13-14-27(15-21)20-11-9-19(10-12-20)25-23(29)17-5-7-18(8-6-17)24-22(28)16-3-4-16/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 58867523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).