5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide

C13H18FN3O2 — CID 60853756

IUPAC5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide
SMILESCCC(C)NCC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C13H18FN3O2/c1-3-8(2)16-7-12(18)17-9-4-5-11(14)10(6-9)13(15)19/h4-6,8,16H,3,7H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyAKZFCJDUXONKHD-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.25
Rot. Bonds6

About 5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide

5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide (PubChem CID 60853756) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide
PubChem CID60853756
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide
SMILESCCC(C)NCC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C13H18FN3O2/c1-3-8(2)16-7-12(18)17-9-4-5-11(14)10(6-9)13(15)19/h4-6,8,16H,3,7H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyAKZFCJDUXONKHD-UHFFFAOYSA-N
XLogP1.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903
5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
CID 60852680
5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide
CID 94959792
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
5-(4-aminobutanoylamino)-2-fluorobenzamide
CID 43706573
N-(3-carbamothioyl-4-fluorophenyl)-2-methylbutanamide
CID 55057586
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide?
The IUPAC name of 5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide (CID 60853756) is 5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide.
What is the SMILES notation for 5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide?
The canonical SMILES for 5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide is CCC(C)NCC(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide?
The InChIKey is AKZFCJDUXONKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-3-8(2)16-7-12(18)17-9-4-5-11(14)10(6-9)13(15)19/h4-6,8,16H,3,7H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide?
5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide has a molecular weight of 267.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide is sourced from PubChem (CID 60853756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).