N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide

C21H23FN2O2 — CID 42705684

IUPACN-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide
SMILESO=C(NCCCN(C(=O)c1ccc(F)cc1)c1ccccc1)C1CCC1
InChIInChI=1S/C21H23FN2O2/c22-18-12-10-17(11-13-18)21(26)24(19-8-2-1-3-9-19)15-5-14-23-20(25)16-6-4-7-16/h1-3,8-13,16H,4-7,14-15H2,(H,23,25)
InChIKeyZEDOTGAOJXEFOK-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.78
Rot. Bonds7

About N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide

N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide (PubChem CID 42705684) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide
PubChem CID42705684
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide
SMILESO=C(NCCCN(C(=O)c1ccc(F)cc1)c1ccccc1)C1CCC1
InChIInChI=1S/C21H23FN2O2/c22-18-12-10-17(11-13-18)21(26)24(19-8-2-1-3-9-19)15-5-14-23-20(25)16-6-4-7-16/h1-3,8-13,16H,4-7,14-15H2,(H,23,25)
InChIKeyZEDOTGAOJXEFOK-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide
CID 42706776
N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide
CID 42702472
4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705698
N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-4-fluoro-N-phenylbenzamide
CID 42705688
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707248
N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide
CID 42703053
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705306
1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 46775234
N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride
CID 119782980
(3R)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 95085490

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide?
The IUPAC name of N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide (CID 42705684) is N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide.
What is the SMILES notation for N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide?
The canonical SMILES for N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide is O=C(NCCCN(C(=O)c1ccc(F)cc1)c1ccccc1)C1CCC1.
What is the InChIKey of N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide?
The InChIKey is ZEDOTGAOJXEFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-12-10-17(11-13-18)21(26)24(19-8-2-1-3-9-19)15-5-14-23-20(25)16-6-4-7-16/h1-3,8-13,16H,4-7,14-15H2,(H,23,25).
What are the key properties of N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide?
N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide has a molecular weight of 354.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide is sourced from PubChem (CID 42705684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).