4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide

C14H20Cl2N2O — CID 82832878

IUPAC4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
SMILESCCC(CC)(CC)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-14(5-2,6-3)18-13(19)9-7-10(15)12(17)11(16)8-9/h7-8H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyYUPXDOXOGGRKQG-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.27
Rot. Bonds5

About 4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide

4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide (PubChem CID 82832878) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
PubChem CID82832878
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
SMILESCCC(CC)(CC)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-14(5-2,6-3)18-13(19)9-7-10(15)12(17)11(16)8-9/h7-8H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyYUPXDOXOGGRKQG-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid
CID 82832526
3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide
CID 65037878
2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 65038933
4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832798
2-[(4-amino-3-chloro-5-fluorobenzoyl)amino]-2-ethylbutanoic acid
CID 142416042
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517786
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-chloro-4-hydroxybenzamide
CID 107867994
4-bromo-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 81295658
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
3-bromo-5-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 104630033

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide (CID 82832878) is 4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide is CCC(CC)(CC)NC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide?
The InChIKey is YUPXDOXOGGRKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-4-14(5-2,6-3)18-13(19)9-7-10(15)12(17)11(16)8-9/h7-8H,4-6,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide?
4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide has a molecular weight of 303.23 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide is sourced from PubChem (CID 82832878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).