N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride

C15H21BrClN3O2 — CID 119565780

IUPACN-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
SMILESCl.NCC1(NC(=O)CNC(=O)c2cccc(Br)c2)CCCC1
InChIInChI=1S/C15H20BrN3O2.ClH/c16-12-5-3-4-11(8-12)14(21)18-9-13(20)19-15(10-17)6-1-2-7-15;/h3-5,8H,1-2,6-7,9-10,17H2,(H,18,21)(H,19,20);1H
InChIKeyVBSKJAFARKJXLY-UHFFFAOYSA-N
MW390.71 g/mol
LogP1.99
Rot. Bonds5

About N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride

N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride (PubChem CID 119565780) has the molecular formula C15H21BrClN3O2 and a molecular weight of 390.71 g/mol. Its IUPAC name is N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
PubChem CID119565780
Molecular FormulaC15H21BrClN3O2
Molecular Weight390.71 g/mol
Exact Mass389.05
IUPAC NameN-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
SMILESCl.NCC1(NC(=O)CNC(=O)c2cccc(Br)c2)CCCC1
InChIInChI=1S/C15H20BrN3O2.ClH/c16-12-5-3-4-11(8-12)14(21)18-9-13(20)19-15(10-17)6-1-2-7-15;/h3-5,8H,1-2,6-7,9-10,17H2,(H,18,21)(H,19,20);1H
InChIKeyVBSKJAFARKJXLY-UHFFFAOYSA-N
XLogP1.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-[(3-bromobenzoyl)amino]acetyl]amino]oxan-4-yl]acetic acid
CID 120521496
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-[2-(3-aminopropylamino)-2-oxoethyl]-3-bromobenzamide
CID 119405892
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119589813
1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 119568500
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzamide;hydrochloride
CID 119565325
3-bromo-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 18150703
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
The IUPAC name of N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride (CID 119565780) is N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
The canonical SMILES for N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride is Cl.NCC1(NC(=O)CNC(=O)c2cccc(Br)c2)CCCC1.
What is the InChIKey of N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
The InChIKey is VBSKJAFARKJXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2.ClH/c16-12-5-3-4-11(8-12)14(21)18-9-13(20)19-15(10-17)6-1-2-7-15;/h3-5,8H,1-2,6-7,9-10,17H2,(H,18,21)(H,19,20);1H.
What are the key properties of N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride?
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride has a molecular weight of 390.71 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride is sourced from PubChem (CID 119565780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).