N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

C26H26Cl2N4O2 — CID 42661807

IUPACN-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C26H26Cl2N4O2/c27-21-10-7-11-22(24(21)28)31-26(34)30-19-12-13-23(32-14-5-2-6-15-32)20(16-19)25(33)29-17-18-8-3-1-4-9-18/h1,3-4,7-13,16H,2,5-6,14-15,17H2,(H,29,33)(H2,30,31,34)
InChIKeyYRFKYKRLPRQEQK-UHFFFAOYSA-N
MW497.43 g/mol
LogP6.56
Rot. Bonds6

About N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (PubChem CID 42661807) has the molecular formula C26H26Cl2N4O2 and a molecular weight of 497.43 g/mol. Its IUPAC name is N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
PubChem CID42661807
Molecular FormulaC26H26Cl2N4O2
Molecular Weight497.43 g/mol
Exact Mass496.14
IUPAC NameN-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C26H26Cl2N4O2/c27-21-10-7-11-22(24(21)28)31-26(34)30-19-12-13-23(32-14-5-2-6-15-32)20(16-19)25(33)29-17-18-8-3-1-4-9-18/h1,3-4,7-13,16H,2,5-6,14-15,17H2,(H,29,33)(H2,30,31,34)
InChIKeyYRFKYKRLPRQEQK-UHFFFAOYSA-N
XLogP6.56
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.43
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,3-dichlorophenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065628
5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide
CID 4002213
N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066972
N-benzyl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054766
N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1065996
5-(naphthalen-1-ylcarbamoylamino)-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 42661823
N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 1065967
N-benzyl-5-[(3-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054769
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994
5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 42661834
N-benzyl-5-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-piperidin-1-ylbenzamide
CID 5038108
N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3443587

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (CID 42661807) is N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is O=C(Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The InChIKey is YRFKYKRLPRQEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O2/c27-21-10-7-11-22(24(21)28)31-26(34)30-19-12-13-23(32-14-5-2-6-15-32)20(16-19)25(33)29-17-18-8-3-1-4-9-18/h1,3-4,7-13,16H,2,5-6,14-15,17H2,(H,29,33)(H2,30,31,34).
What are the key properties of N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide has a molecular weight of 497.43 g/mol, XLogP of 6.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 42661807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).