N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide

C28H29Cl2N3O2 — CID 42848423

IUPACN-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C28H29Cl2N3O2/c1-2-32(19-20-8-4-3-5-9-20)28(35)24-10-6-7-11-26(24)33-16-14-22(15-17-33)31-27(34)23-13-12-21(29)18-25(23)30/h3-13,18,22H,2,14-17,19H2,1H3,(H,31,34)
InChIKeyMAJQOJSIJNNJAP-UHFFFAOYSA-N
MW510.47 g/mol
LogP6.05
Rot. Bonds7

About N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide

N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide (PubChem CID 42848423) has the molecular formula C28H29Cl2N3O2 and a molecular weight of 510.47 g/mol. Its IUPAC name is N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide
PubChem CID42848423
Molecular FormulaC28H29Cl2N3O2
Molecular Weight510.47 g/mol
Exact Mass509.16
IUPAC NameN-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C28H29Cl2N3O2/c1-2-32(19-20-8-4-3-5-9-20)28(35)24-10-6-7-11-26(24)33-16-14-22(15-17-33)31-27(34)23-13-12-21(29)18-25(23)30/h3-13,18,22H,2,14-17,19H2,1H3,(H,31,34)
InChIKeyMAJQOJSIJNNJAP-UHFFFAOYSA-N
XLogP6.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.47
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide 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-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
CID 46038514
2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 42848150
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide
CID 46038773
2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
CID 46038155
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46038313
N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide
CID 46038163
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 46038156
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide (CID 42848423) is N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide is CCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide?
The InChIKey is MAJQOJSIJNNJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N3O2/c1-2-32(19-20-8-4-3-5-9-20)28(35)24-10-6-7-11-26(24)33-16-14-22(15-17-33)31-27(34)23-13-12-21(29)18-25(23)30/h3-13,18,22H,2,14-17,19H2,1H3,(H,31,34).
What are the key properties of N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide?
N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide has a molecular weight of 510.47 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 42848423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).