N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C22H26FN3O2 — CID 24549345

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-15(2)25-22(28)24-13-16-7-9-17(10-8-16)21(27)26(19-11-12-19)14-18-5-3-4-6-20(18)23/h3-10,15,19H,11-14H2,1-2H3,(H2,24,25,28)
InChIKeyWWEKPSNRUMCULM-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.84
Rot. Bonds7

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 24549345) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID24549345
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-15(2)25-22(28)24-13-16-7-9-17(10-8-16)21(27)26(19-11-12-19)14-18-5-3-4-6-20(18)23/h3-10,15,19H,11-14H2,1-2H3,(H2,24,25,28)
InChIKeyWWEKPSNRUMCULM-UHFFFAOYSA-N
XLogP3.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide with MolForge

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Related Compounds

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545378
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
CID 75402782
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-[2-(2-fluorophenoxy)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9425271
2-[[cyclohexyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92695641
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 65229877
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)benzamide
CID 40643612
N-(2-aminoethyl)-N-(2-phenylethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 120884588
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 24549345) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is CC(C)NC(=O)NCc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is WWEKPSNRUMCULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15(2)25-22(28)24-13-16-7-9-17(10-8-16)21(27)26(19-11-12-19)14-18-5-3-4-6-20(18)23/h3-10,15,19H,11-14H2,1-2H3,(H2,24,25,28).
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 24549345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).