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

C13H18ClN3O2 — CID 104684164

IUPAC4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide
SMILESCC(CCCN)C(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-8(3-2-6-15)13(19)17-9-4-5-10(12(16)18)11(14)7-9/h4-5,7-8H,2-3,6,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyDPVJTJHQVQKRNM-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.75
Rot. Bonds6

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

4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide (PubChem CID 104684164) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide.

Molecular Properties

Compound Name4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide
PubChem CID104684164
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide
SMILESCC(CCCN)C(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-8(3-2-6-15)13(19)17-9-4-5-10(12(16)18)11(14)7-9/h4-5,7-8H,2-3,6,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyDPVJTJHQVQKRNM-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

4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzoic acid
CID 112547679
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
4-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzamide
CID 82010894
5-[(5-amino-2-methylpentanoyl)amino]-2-bromobenzoic acid
CID 112547696
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-chlorobenzamide
CID 61179378
(2S)-4-amino-N-(4-chloro-3-methylphenyl)-2-methylbutanamide
CID 170264446
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
5-amino-2-methyl-N-(3-phenylphenyl)pentanamide
CID 143299343
2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide
CID 55122685
5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide
CID 104683468
5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 104683445

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide?
The IUPAC name of 4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide (CID 104684164) is 4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide.
What is the SMILES notation for 4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide?
The canonical SMILES for 4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide is CC(CCCN)C(=O)Nc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide?
The InChIKey is DPVJTJHQVQKRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(3-2-6-15)13(19)17-9-4-5-10(12(16)18)11(14)7-9/h4-5,7-8H,2-3,6,15H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide?
4-[(5-amino-2-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-2-methylpentanoyl)amino]-2-chlorobenzamide is sourced from PubChem (CID 104684164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).