4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide

C13H18Cl2N2O — CID 82833286

IUPAC4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-4-7(2)8(3)17-13(18)9-5-10(14)12(16)11(15)6-9/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyVKCDWWXIMCETLY-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.74
Rot. Bonds4

About 4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide

4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide (PubChem CID 82833286) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
PubChem CID82833286
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-4-7(2)8(3)17-13(18)9-5-10(14)12(16)11(15)6-9/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyVKCDWWXIMCETLY-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.74
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

3,5-diamino-N-(3-methylpentan-2-yl)benzamide
CID 54950045
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
CID 103221997
4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
CID 82832518
4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
CID 82787029
3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843419
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 104852533
(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid
CID 107564962
methyl 2-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methoxypropanoate
CID 122135859
(2S)-2-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832858
4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 82833362

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide (CID 82833286) is 4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide is CCC(C)C(C)NC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide?
The InChIKey is VKCDWWXIMCETLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-4-7(2)8(3)17-13(18)9-5-10(14)12(16)11(15)6-9/h5-8H,4,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide?
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide has a molecular weight of 289.21 g/mol, XLogP of 3.74, 4 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-methylpentan-2-yl)benzamide is sourced from PubChem (CID 82833286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).