5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide

C24H28ClN3O3 — CID 1066572

IUPAC5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C(=O)NC2CC2)CC1
InChIInChI=1S/C24H28ClN3O3/c1-16-10-12-28(13-11-16)22-9-6-19(14-21(22)24(30)27-18-4-5-18)26-23(29)15-31-20-7-2-17(25)3-8-20/h2-3,6-9,14,16,18H,4-5,10-13,15H2,1H3,(H,26,29)(H,27,30)
InChIKeyPZOFSDIVQIQSKR-UHFFFAOYSA-N
MW441.96 g/mol
LogP4.49
Rot. Bonds7

About 5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide

5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 1066572) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID1066572
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C(=O)NC2CC2)CC1
InChIInChI=1S/C24H28ClN3O3/c1-16-10-12-28(13-11-16)22-9-6-19(14-21(22)24(30)27-18-4-5-18)26-23(29)15-31-20-7-2-17(25)3-8-20/h2-3,6-9,14,16,18H,4-5,10-13,15H2,1H3,(H,26,29)(H,27,30)
InChIKeyPZOFSDIVQIQSKR-UHFFFAOYSA-N
XLogP4.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.49
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

5-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3931057
N-benzyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3951976
5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 42757156
5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 4313980
N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)-5-[(2-phenoxyacetyl)amino]benzamide
CID 4579884
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3299631
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 1063091
N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide
CID 1054058
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
2-chloro-N-cyclopropyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 55805524
N-cyclohexyl-5-(cyclopropanecarbonylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 4265195
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide (CID 1066572) is 5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide is CC1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C(=O)NC2CC2)CC1.
What is the InChIKey of 5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is PZOFSDIVQIQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-16-10-12-28(13-11-16)22-9-6-19(14-21(22)24(30)27-18-4-5-18)26-23(29)15-31-20-7-2-17(25)3-8-20/h2-3,6-9,14,16,18H,4-5,10-13,15H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 441.96 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 1066572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).