N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide

C24H28FN3O2 — CID 78847973

IUPACN-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C24H28FN3O2/c1-27(14-17-4-8-20(25)9-5-17)23(29)16-28(22-12-13-22)15-18-2-6-19(7-3-18)24(30)26-21-10-11-21/h2-9,21-22H,10-16H2,1H3,(H,26,30)
InChIKeyCLMNJSJEIZXMNC-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.34
Rot. Bonds9

About N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide (PubChem CID 78847973) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide
PubChem CID78847973
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C24H28FN3O2/c1-27(14-17-4-8-20(25)9-5-17)23(29)16-28(22-12-13-22)15-18-2-6-19(7-3-18)24(30)26-21-10-11-21/h2-9,21-22H,10-16H2,1H3,(H,26,30)
InChIKeyCLMNJSJEIZXMNC-UHFFFAOYSA-N
XLogP3.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 34178957
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CID 33339728
2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8905627
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CID 46594516
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
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CID 43393996
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CID 38397536
4-[[(5-tert-butyl-2,3-dihydroxyphenyl)methyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34897257
N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide
CID 71852307
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
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N-cyclopropyl-4-[[1H-imidazol-5-ylmethyl(methyl)amino]methyl]benzamide
CID 166193454

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide (CID 78847973) is N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide is CN(Cc1ccc(F)cc1)C(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is CLMNJSJEIZXMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-27(14-17-4-8-20(25)9-5-17)23(29)16-28(22-12-13-22)15-18-2-6-19(7-3-18)24(30)26-21-10-11-21/h2-9,21-22H,10-16H2,1H3,(H,26,30).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 78847973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).