2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide

C25H25ClN4O2 — CID 11998404

IUPAC2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide
SMILESO=C(CC1CCN(c2ccncc2)CC1)Nc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C25H25ClN4O2/c26-23-7-2-1-6-22(23)25(32)29-20-5-3-4-19(17-20)28-24(31)16-18-10-14-30(15-11-18)21-8-12-27-13-9-21/h1-9,12-13,17-18H,10-11,14-16H2,(H,28,31)(H,29,32)
InChIKeyGOPVRJDEZGTCAO-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.23
Rot. Bonds6

About 2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide

2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide (PubChem CID 11998404) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide
PubChem CID11998404
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide
SMILESO=C(CC1CCN(c2ccncc2)CC1)Nc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C25H25ClN4O2/c26-23-7-2-1-6-22(23)25(32)29-20-5-3-4-19(17-20)28-24(31)16-18-10-14-30(15-11-18)21-8-12-27-13-9-21/h1-9,12-13,17-18H,10-11,14-16H2,(H,28,31)(H,29,32)
InChIKeyGOPVRJDEZGTCAO-UHFFFAOYSA-N
XLogP5.23
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-2-(1-pyridin-4-ylpiperidin-4-yl)acetamide
CID 140968172
2-[4-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenoxy]acetic acid
CID 18924126
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
3-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 23630512
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185
N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide (CID 11998404) is 2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide is O=C(CC1CCN(c2ccncc2)CC1)Nc1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is GOPVRJDEZGTCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c26-23-7-2-1-6-22(23)25(32)29-20-5-3-4-19(17-20)28-24(31)16-18-10-14-30(15-11-18)21-8-12-27-13-9-21/h1-9,12-13,17-18H,10-11,14-16H2,(H,28,31)(H,29,32).
What are the key properties of 2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide?
2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 448.95 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 11998404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).