5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide

C24H30ClN3O2 — CID 5158041

IUPAC5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
SMILESCC1CCN(c2ccc(NC(=O)C(Cl)c3ccccc3)cc2C(=O)NC(C)C)CC1
InChIInChI=1S/C24H30ClN3O2/c1-16(2)26-23(29)20-15-19(9-10-21(20)28-13-11-17(3)12-14-28)27-24(30)22(25)18-7-5-4-6-8-18/h4-10,15-17,22H,11-14H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyVKKIFJTZKODQHY-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.98
Rot. Bonds6

About 5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide

5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide (PubChem CID 5158041) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
PubChem CID5158041
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
SMILESCC1CCN(c2ccc(NC(=O)C(Cl)c3ccccc3)cc2C(=O)NC(C)C)CC1
InChIInChI=1S/C24H30ClN3O2/c1-16(2)26-23(29)20-15-19(9-10-21(20)28-13-11-17(3)12-14-28)27-24(30)22(25)18-7-5-4-6-8-18/h4-10,15-17,22H,11-14H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyVKKIFJTZKODQHY-UHFFFAOYSA-N
XLogP4.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 1063492
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4299183
5-[[(2S)-2-chloro-2-phenylacetyl]amino]-N-cyclopropyl-2-piperidin-1-ylbenzamide
CID 1066243
5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 1063277
N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 1064769
5-[(2-chloro-2-phenylacetyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42752807
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
5-[(2-chloro-2-phenylacetyl)amino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755847
5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4691475
5-(tert-butylcarbamoylamino)-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 42751555
5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 5166911
2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3884953

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide (CID 5158041) is 5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide is CC1CCN(c2ccc(NC(=O)C(Cl)c3ccccc3)cc2C(=O)NC(C)C)CC1.
What is the InChIKey of 5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
The InChIKey is VKKIFJTZKODQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-16(2)26-23(29)20-15-19(9-10-21(20)28-13-11-17(3)12-14-28)27-24(30)22(25)18-7-5-4-6-8-18/h4-10,15-17,22H,11-14H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?
5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide has a molecular weight of 427.98 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 5158041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).