5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide

C22H26Cl2N4O2 — CID 4002213

IUPAC5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1N1CCCCC1
InChIInChI=1S/C22H26Cl2N4O2/c1-2-11-25-21(29)16-14-15(9-10-19(16)28-12-4-3-5-13-28)26-22(30)27-18-8-6-7-17(23)20(18)24/h6-10,14H,2-5,11-13H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyQFUVPEZMKPSTTB-UHFFFAOYSA-N
MW449.38 g/mol
LogP5.77
Rot. Bonds6

About 5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide

5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide (PubChem CID 4002213) has the molecular formula C22H26Cl2N4O2 and a molecular weight of 449.38 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide.

Molecular Properties

Compound Name5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide
PubChem CID4002213
Molecular FormulaC22H26Cl2N4O2
Molecular Weight449.38 g/mol
Exact Mass448.14
IUPAC Name5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide
SMILESCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1N1CCCCC1
InChIInChI=1S/C22H26Cl2N4O2/c1-2-11-25-21(29)16-14-15(9-10-19(16)28-12-4-3-5-13-28)26-22(30)27-18-8-6-7-17(23)20(18)24/h6-10,14H,2-5,11-13H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyQFUVPEZMKPSTTB-UHFFFAOYSA-N
XLogP5.77
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 55.77
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

N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 42661807
5-[(2,3-dichlorophenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065628
5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 4579577
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-propylbenzamide
CID 4563439
5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
CID 42755610
5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4990355
5-[(2-chloro-2-phenylacetyl)amino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755847
N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 3320138
5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 42661834
ethyl 4-[[3-(propylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate
CID 4285590
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42660921
5-(naphthalen-1-ylcarbamoylamino)-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 42661823

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide?
The IUPAC name of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide (CID 4002213) is 5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide.
What is the SMILES notation for 5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide?
The canonical SMILES for 5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide is CCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1N1CCCCC1.
What is the InChIKey of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide?
The InChIKey is QFUVPEZMKPSTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O2/c1-2-11-25-21(29)16-14-15(9-10-19(16)28-12-4-3-5-13-28)26-22(30)27-18-8-6-7-17(23)20(18)24/h6-10,14H,2-5,11-13H2,1H3,(H,25,29)(H2,26,27,30).
What are the key properties of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide?
5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide has a molecular weight of 449.38 g/mol, XLogP of 5.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-yl-N-propylbenzamide is sourced from PubChem (CID 4002213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).