4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid

C13H16Cl2N2O3 — CID 82832798

IUPAC4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-13(2,4-3-10(18)19)17-12(20)7-5-8(14)11(16)9(15)6-7/h5-6H,3-4,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySQLFTEJMYXTWDP-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.95
Rot. Bonds5

About 4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid

4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 82832798) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
PubChem CID82832798
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-13(2,4-3-10(18)19)17-12(20)7-5-8(14)11(16)9(15)6-7/h5-6H,3-4,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySQLFTEJMYXTWDP-UHFFFAOYSA-N
XLogP2.95
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid
CID 82832526
4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
CID 82832878
4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 91636058
4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 119357380
4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
4-[(5-chloro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 103790574
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[(5-iodothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 79685646
4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204071

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid (CID 82832798) is 4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is SQLFTEJMYXTWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-13(2,4-3-10(18)19)17-12(20)7-5-8(14)11(16)9(15)6-7/h5-6H,3-4,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid?
4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 319.19 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82832798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).