N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide

C17H26ClN3O2 — CID 119668857

IUPACN-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide
SMILESCCCCC(CN)NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl
InChIInChI=1S/C17H26ClN3O2/c1-4-5-6-13(10-19)21-17(23)14-9-12(7-8-15(14)18)20-16(22)11(2)3/h7-9,11,13H,4-6,10,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLDGQALIDXFTCCX-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.18
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide

N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide (PubChem CID 119668857) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide
PubChem CID119668857
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide
SMILESCCCCC(CN)NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl
InChIInChI=1S/C17H26ClN3O2/c1-4-5-6-13(10-19)21-17(23)14-9-12(7-8-15(14)18)20-16(22)11(2)3/h7-9,11,13H,4-6,10,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLDGQALIDXFTCCX-UHFFFAOYSA-N
XLogP3.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea
CID 80697374
N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119667367
5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
CID 60928001
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119665363
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119572129
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119644007
3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
CID 119668146
N-(1-aminopentan-2-yl)-2-chloro-5-methylsulfanylbenzamide
CID 65191370

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide (CID 119668857) is N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide is CCCCC(CN)NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide?
The InChIKey is LDGQALIDXFTCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-4-5-6-13(10-19)21-17(23)14-9-12(7-8-15(14)18)20-16(22)11(2)3/h7-9,11,13H,4-6,10,19H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide?
N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide has a molecular weight of 339.87 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 119668857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).