N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide

C17H26ClN3O2 — CID 119572129

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide
SMILESCCC(CC)(CN)NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl
InChIInChI=1S/C17H26ClN3O2/c1-5-17(6-2,10-19)21-16(23)13-9-12(7-8-14(13)18)20-15(22)11(3)4/h7-9,11H,5-6,10,19H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyMNFGIJKHUOULOD-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.18
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide

N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide (PubChem CID 119572129) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide
PubChem CID119572129
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide
SMILESCCC(CC)(CN)NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl
InChIInChI=1S/C17H26ClN3O2/c1-5-17(6-2,10-19)21-16(23)13-9-12(7-8-14(13)18)20-15(22)11(3)4/h7-9,11H,5-6,10,19H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyMNFGIJKHUOULOD-UHFFFAOYSA-N
XLogP3.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119609082
2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide
CID 111483491
N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119644007
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119668857
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-fluorobenzamide;hydrochloride
CID 119570891
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 111459554
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-methoxybenzamide
CID 63886993
2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1297056
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide (CID 119572129) is N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide is CCC(CC)(CN)NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide?
The InChIKey is MNFGIJKHUOULOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-5-17(6-2,10-19)21-16(23)13-9-12(7-8-14(13)18)20-15(22)11(3)4/h7-9,11H,5-6,10,19H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide?
N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide has a molecular weight of 339.87 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 119572129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).