4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide

C21H24FN3O2 — CID 55907767

IUPAC4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1F
InChIInChI=1S/C21H24FN3O2/c1-25(19-6-3-2-5-18(19)22)14-4-13-23-20(26)15-9-11-17(12-10-15)24-21(27)16-7-8-16/h2-3,5-6,9-12,16H,4,7-8,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyBFOXFQQAANIRQQ-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.43
Rot. Bonds8

About 4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide

4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide (PubChem CID 55907767) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide
PubChem CID55907767
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1F
InChIInChI=1S/C21H24FN3O2/c1-25(19-6-3-2-5-18(19)22)14-4-13-23-20(26)15-9-11-17(12-10-15)24-21(27)16-7-8-16/h2-3,5-6,9-12,16H,4,7-8,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyBFOXFQQAANIRQQ-UHFFFAOYSA-N
XLogP3.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119861519
1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60544274
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
CID 94866111
4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 24658372
4-fluoro-N-[3-(2-fluoro-N-methylanilino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55908423
4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572169
N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71939165
N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide
CID 60547395
3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide
CID 31591035
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147286
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide (CID 55907767) is 4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide is CN(CCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1F.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide?
The InChIKey is BFOXFQQAANIRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-25(19-6-3-2-5-18(19)22)14-4-13-23-20(26)15-9-11-17(12-10-15)24-21(27)16-7-8-16/h2-3,5-6,9-12,16H,4,7-8,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide has a molecular weight of 369.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide is sourced from PubChem (CID 55907767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).