5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

C23H28ClFN4O3 — CID 3260050

IUPAC5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Nc2ccc(F)c(Cl)c2)ccc1N1CCCCC1
InChIInChI=1S/C23H28ClFN4O3/c1-32-13-5-10-26-22(30)18-14-16(7-9-21(18)29-11-3-2-4-12-29)27-23(31)28-17-6-8-20(25)19(24)15-17/h6-9,14-15H,2-5,10-13H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeySNSYFZDKKFEZGY-UHFFFAOYSA-N
MW462.95 g/mol
LogP4.88
Rot. Bonds8

About 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (PubChem CID 3260050) has the molecular formula C23H28ClFN4O3 and a molecular weight of 462.95 g/mol. Its IUPAC name is 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
PubChem CID3260050
Molecular FormulaC23H28ClFN4O3
Molecular Weight462.95 g/mol
Exact Mass462.18
IUPAC Name5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(=O)Nc2ccc(F)c(Cl)c2)ccc1N1CCCCC1
InChIInChI=1S/C23H28ClFN4O3/c1-32-13-5-10-26-22(30)18-14-16(7-9-21(18)29-11-3-2-4-12-29)27-23(31)28-17-6-8-20(25)19(24)15-17/h6-9,14-15H,2-5,10-13H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeySNSYFZDKKFEZGY-UHFFFAOYSA-N
XLogP4.88
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.95
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide 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

5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
5-[(3-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661949
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
3-[[5-[(3,4-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzoyl]amino]propyl hypochlorite
CID 143368272
5-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42661850
5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 3895731
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661960
5-[(2-ethylphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4990355
5-[(3,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3544747
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42757051
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065648
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3994769

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (CID 3260050) is 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is COCCCNC(=O)c1cc(NC(=O)Nc2ccc(F)c(Cl)c2)ccc1N1CCCCC1.
What is the InChIKey of 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The InChIKey is SNSYFZDKKFEZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN4O3/c1-32-13-5-10-26-22(30)18-14-16(7-9-21(18)29-11-3-2-4-12-29)27-23(31)28-17-6-8-20(25)19(24)15-17/h6-9,14-15H,2-5,10-13H2,1H3,(H,26,30)(H2,27,28,31).
What are the key properties of 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide has a molecular weight of 462.95 g/mol, XLogP of 4.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 3260050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).