N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide

C11H14Cl2N2O — CID 115267427

IUPACN-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
SMILESCC(CN)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(5-14)6-15-11(16)8-2-3-9(12)10(13)4-8/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyJPCWQRJHGZIKRA-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.32
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide

N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide (PubChem CID 115267427) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
PubChem CID115267427
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC NameN-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
SMILESCC(CN)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(5-14)6-15-11(16)8-2-3-9(12)10(13)4-8/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyJPCWQRJHGZIKRA-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
CID 119996487
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
methyl 2-bromo-3-[(3,4-dichlorobenzoyl)amino]propanoate
CID 103492691
3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
CID 116564611
3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444164
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide (CID 115267427) is N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide is CC(CN)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide?
The InChIKey is JPCWQRJHGZIKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-7(5-14)6-15-11(16)8-2-3-9(12)10(13)4-8/h2-4,7H,5-6,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide?
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide has a molecular weight of 261.15 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide is sourced from PubChem (CID 115267427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).