4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide

C23H21ClFN3O2 — CID 42705306

IUPAC4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
SMILESO=C(NCCCN(C(=O)c1ccc(Cl)cc1)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C23H21ClFN3O2/c24-18-13-11-17(12-14-18)22(29)28(19-7-2-1-3-8-19)16-6-15-26-23(30)27-21-10-5-4-9-20(21)25/h1-5,7-14H,6,15-16H2,(H2,26,27,30)
InChIKeyONYCVWAIXWTQCK-UHFFFAOYSA-N
MW425.89 g/mol
LogP5.34
Rot. Bonds7

About 4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide

4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide (PubChem CID 42705306) has the molecular formula C23H21ClFN3O2 and a molecular weight of 425.89 g/mol. Its IUPAC name is 4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
PubChem CID42705306
Molecular FormulaC23H21ClFN3O2
Molecular Weight425.89 g/mol
Exact Mass425.13
IUPAC Name4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
SMILESO=C(NCCCN(C(=O)c1ccc(Cl)cc1)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C23H21ClFN3O2/c24-18-13-11-17(12-14-18)22(29)28(19-7-2-1-3-8-19)16-6-15-26-23(30)27-21-10-5-4-9-20(21)25/h1-5,7-14H,6,15-16H2,(H2,26,27,30)
InChIKeyONYCVWAIXWTQCK-UHFFFAOYSA-N
XLogP5.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.89
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705698
4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705311
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
3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42705740
N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide
CID 42702472
N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide
CID 42705713
2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide
CID 42706752
4-chloro-N-[3-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]benzamide
CID 42701967
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide
CID 42705684
1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea
CID 47081878

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The IUPAC name of 4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide (CID 42705306) is 4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide.
What is the SMILES notation for 4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The canonical SMILES for 4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide is O=C(NCCCN(C(=O)c1ccc(Cl)cc1)c1ccccc1)Nc1ccccc1F.
What is the InChIKey of 4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide?
The InChIKey is ONYCVWAIXWTQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O2/c24-18-13-11-17(12-14-18)22(29)28(19-7-2-1-3-8-19)16-6-15-26-23(30)27-21-10-5-4-9-20(21)25/h1-5,7-14H,6,15-16H2,(H2,26,27,30).
What are the key properties of 4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide?
4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide has a molecular weight of 425.89 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide is sourced from PubChem (CID 42705306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).