N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide

C15H23ClN2O — CID 115317476

IUPACN-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide
SMILESCc1cc(Cl)cc(C(=O)N(C)CCC(N)C(C)C)c1
InChIInChI=1S/C15H23ClN2O/c1-10(2)14(17)5-6-18(4)15(19)12-7-11(3)8-13(16)9-12/h7-10,14H,5-6,17H2,1-4H3
InChIKeyZCVSJXRIKKIZMM-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.09
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide

N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide (PubChem CID 115317476) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide
PubChem CID115317476
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide
SMILESCc1cc(Cl)cc(C(=O)N(C)CCC(N)C(C)C)c1
InChIInChI=1S/C15H23ClN2O/c1-10(2)14(17)5-6-18(4)15(19)12-7-11(3)8-13(16)9-12/h7-10,14H,5-6,17H2,1-4H3
InChIKeyZCVSJXRIKKIZMM-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
3-chloro-N-(2-chloroethyl)-N,5-dimethylbenzamide
CID 81324251
N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 119659005
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115317428
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 81002742
3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methylbenzamide
CID 119660135
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide (CID 115317476) is N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide is Cc1cc(Cl)cc(C(=O)N(C)CCC(N)C(C)C)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide?
The InChIKey is ZCVSJXRIKKIZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10(2)14(17)5-6-18(4)15(19)12-7-11(3)8-13(16)9-12/h7-10,14H,5-6,17H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide?
N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide has a molecular weight of 282.81 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide is sourced from PubChem (CID 115317476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).