4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide

C13H18ClN3O2 — CID 82010894

IUPAC4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
SMILESCC(CN)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-8(7-15)2-5-12(18)17-9-3-4-10(13(16)19)11(14)6-9/h3-4,6,8H,2,5,7,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyGCDGYBBWOHMUFR-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.75
Rot. Bonds6

About 4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide

4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide (PubChem CID 82010894) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide.

Molecular Properties

Compound Name4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
PubChem CID82010894
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
SMILESCC(CN)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-8(7-15)2-5-12(18)17-9-3-4-10(13(16)19)11(14)6-9/h3-4,6,8H,2,5,7,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyGCDGYBBWOHMUFR-UHFFFAOYSA-N
XLogP1.75
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
methyl 5-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzoate
CID 82011968
2-chloro-4-[3-(ethylamino)propanoylamino]benzamide
CID 62834524
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide
CID 104684164
5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268
5-amino-N-(3-bromo-4-methylphenyl)-4-methylpentanamide
CID 82688133
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
CID 119299938
5-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 82011452
4-[(5-amino-4-methylpentanoyl)amino]benzoic acid
CID 82011492
5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide
CID 82011170
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide?
The IUPAC name of 4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide (CID 82010894) is 4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide.
What is the SMILES notation for 4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide?
The canonical SMILES for 4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide is CC(CN)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide?
The InChIKey is GCDGYBBWOHMUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(7-15)2-5-12(18)17-9-3-4-10(13(16)19)11(14)6-9/h3-4,6,8H,2,5,7,15H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide?
4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide is sourced from PubChem (CID 82010894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).