5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide

C13H20ClN3O2 — CID 103388414

IUPAC5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
SMILESCOCC(CCCN)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C13H20ClN3O2/c1-19-8-10(3-2-6-15)17-9-4-5-12(14)11(7-9)13(16)18/h4-5,7,10,17H,2-3,6,8,15H2,1H3,(H2,16,18)
InChIKeyWMCXASUDIRWNMR-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.60
Rot. Bonds8

About 5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide

5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide (PubChem CID 103388414) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
PubChem CID103388414
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
SMILESCOCC(CCCN)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C13H20ClN3O2/c1-19-8-10(3-2-6-15)17-9-4-5-12(14)11(7-9)13(16)18/h4-5,7,10,17H,2-3,6,8,15H2,1H3,(H2,16,18)
InChIKeyWMCXASUDIRWNMR-UHFFFAOYSA-N
XLogP1.60
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
CID 103388398
methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate
CID 103388068
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
CID 103388830
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103389616
ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
CID 103387754
5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
CID 103388775
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
2-chloro-5-(heptan-2-ylamino)benzamide
CID 43713383
4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
CID 103390438

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide?
The IUPAC name of 5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide (CID 103388414) is 5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide.
What is the SMILES notation for 5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide?
The canonical SMILES for 5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide is COCC(CCCN)Nc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide?
The InChIKey is WMCXASUDIRWNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-19-8-10(3-2-6-15)17-9-4-5-12(14)11(7-9)13(16)18/h4-5,7,10,17H,2-3,6,8,15H2,1H3,(H2,16,18).
What are the key properties of 5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide?
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide has a molecular weight of 285.78 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide is sourced from PubChem (CID 103388414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).