4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide

C24H24FN3O2 — CID 42705698

IUPAC4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
SMILESCc1ccccc1NC(=O)NCCCN(C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H24FN3O2/c1-18-8-5-6-11-22(18)27-24(30)26-16-7-17-28(21-9-3-2-4-10-21)23(29)19-12-14-20(25)15-13-19/h2-6,8-15H,7,16-17H2,1H3,(H2,26,27,30)
InChIKeyDCQAYFQFQYYQIQ-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.99
Rot. Bonds7

About 4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide

4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide (PubChem CID 42705698) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
PubChem CID42705698
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
SMILESCc1ccccc1NC(=O)NCCCN(C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H24FN3O2/c1-18-8-5-6-11-22(18)27-24(30)26-16-7-17-28(21-9-3-2-4-10-21)23(29)19-12-14-20(25)15-13-19/h2-6,8-15H,7,16-17H2,1H3,(H2,26,27,30)
InChIKeyDCQAYFQFQYYQIQ-UHFFFAOYSA-N
XLogP4.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide 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

4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705306
N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-4-fluoro-N-phenylbenzamide
CID 42705688
3-(4-chlorophenyl)-1-[3-[(2-methylphenyl)carbamoylamino]propyl]-1-phenylurea
CID 42657176
2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide
CID 42705644
N-(4-fluorophenyl)-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 42724477
N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide
CID 42705684
1-[3-(N-(4-chlorophenyl)sulfonyl-4-fluoroanilino)propyl]-3-(2-methylphenyl)urea
CID 42705753
4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705311
3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42705740
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 42707241
1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 3822405
3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 3380556

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The IUPAC name of 4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide (CID 42705698) is 4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide.
What is the SMILES notation for 4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The canonical SMILES for 4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide is Cc1ccccc1NC(=O)NCCCN(C(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The InChIKey is DCQAYFQFQYYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-18-8-5-6-11-22(18)27-24(30)26-16-7-17-28(21-9-3-2-4-10-21)23(29)19-12-14-20(25)15-13-19/h2-6,8-15H,7,16-17H2,1H3,(H2,26,27,30).
What are the key properties of 4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide?
4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide has a molecular weight of 405.47 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide is sourced from PubChem (CID 42705698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).