N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide

C22H26FN3O3 — CID 55870074

IUPACN-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)CNC(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C22H26FN3O3/c1-3-15(2)26-22(29)18-8-4-7-17(10-18)13-24-21(28)14-25-20(27)12-16-6-5-9-19(23)11-16/h4-11,15H,3,12-14H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyNSFOLHCYWVSTRC-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.33
Rot. Bonds9

About N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide

N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide (PubChem CID 55870074) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide
PubChem CID55870074
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)CNC(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C22H26FN3O3/c1-3-15(2)26-22(29)18-8-4-7-17(10-18)13-24-21(28)14-25-20(27)12-16-6-5-9-19(23)11-16/h4-11,15H,3,12-14H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyNSFOLHCYWVSTRC-UHFFFAOYSA-N
XLogP2.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide with MolForge

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Related Compounds

3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
2-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-fluorobenzamide
CID 47043729
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
CID 47043715
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide
CID 166272217
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78902086
N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide
CID 55749397
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546459

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide (CID 55870074) is N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide is CCC(C)NC(=O)c1cccc(CNC(=O)CNC(=O)Cc2cccc(F)c2)c1.
What is the InChIKey of N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide?
The InChIKey is NSFOLHCYWVSTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-3-15(2)26-22(29)18-8-4-7-17(10-18)13-24-21(28)14-25-20(27)12-16-6-5-9-19(23)11-16/h4-11,15H,3,12-14H2,1-2H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide?
N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide has a molecular weight of 399.47 g/mol, XLogP of 2.33, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 55870074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).