2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide

C14H22ClN3O — CID 115310251

IUPAC2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide
SMILESCC(C)CC(C)(CN)Nc1cccc(Cl)c1C(N)=O
InChIInChI=1S/C14H22ClN3O/c1-9(2)7-14(3,8-16)18-11-6-4-5-10(15)12(11)13(17)19/h4-6,9,18H,7-8,16H2,1-3H3,(H2,17,19)
InChIKeyXIPRJIMJFNFWTI-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.61
Rot. Bonds6

About 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide

2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide (PubChem CID 115310251) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide.

Molecular Properties

Compound Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide
PubChem CID115310251
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide
SMILESCC(C)CC(C)(CN)Nc1cccc(Cl)c1C(N)=O
InChIInChI=1S/C14H22ClN3O/c1-9(2)7-14(3,8-16)18-11-6-4-5-10(15)12(11)13(17)19/h4-6,9,18H,7-8,16H2,1-3H3,(H2,17,19)
InChIKeyXIPRJIMJFNFWTI-UHFFFAOYSA-N
XLogP2.61
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide?
The IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide (CID 115310251) is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide.
What is the SMILES notation for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide?
The canonical SMILES for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide is CC(C)CC(C)(CN)Nc1cccc(Cl)c1C(N)=O.
What is the InChIKey of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide?
The InChIKey is XIPRJIMJFNFWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)7-14(3,8-16)18-11-6-4-5-10(15)12(11)13(17)19/h4-6,9,18H,7-8,16H2,1-3H3,(H2,17,19).
What are the key properties of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide?
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide has a molecular weight of 283.80 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-6-chlorobenzamide is sourced from PubChem (CID 115310251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).