N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide

C16H23BrN2O3 — CID 119600537

IUPACN-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NC2CCCC2CN)cc1OC
InChIInChI=1S/C16H23BrN2O3/c1-3-22-15-12(17)7-11(8-14(15)21-2)16(20)19-13-6-4-5-10(13)9-18/h7-8,10,13H,3-6,9,18H2,1-2H3,(H,19,20)
InChIKeyPCRNLDSWMNLAHS-UHFFFAOYSA-N
MW371.28 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide

N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide (PubChem CID 119600537) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
PubChem CID119600537
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NC2CCCC2CN)cc1OC
InChIInChI=1S/C16H23BrN2O3/c1-3-22-15-12(17)7-11(8-14(15)21-2)16(20)19-13-6-4-5-10(13)9-18/h7-8,10,13H,3-6,9,18H2,1-2H3,(H,19,20)
InChIKeyPCRNLDSWMNLAHS-UHFFFAOYSA-N
XLogP2.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
CID 119609355
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449468
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119604984
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119601169
N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
CID 119603710
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide (CID 119600537) is N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)NC2CCCC2CN)cc1OC.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide?
The InChIKey is PCRNLDSWMNLAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-3-22-15-12(17)7-11(8-14(15)21-2)16(20)19-13-6-4-5-10(13)9-18/h7-8,10,13H,3-6,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide?
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide has a molecular weight of 371.28 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 119600537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).