N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride

C16H24BrClN2O3 — CID 119614778

IUPACN-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Br)cc(C(=O)NC(CN)C2CC2)cc1OC.Cl
InChIInChI=1S/C16H23BrN2O3.ClH/c1-3-6-22-15-12(17)7-11(8-14(15)21-2)16(20)19-13(9-18)10-4-5-10;/h7-8,10,13H,3-6,9,18H2,1-2H3,(H,19,20);1H
InChIKeyQXAMVNXMLBDFKJ-UHFFFAOYSA-N
MW407.74 g/mol
LogP3.14
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride (PubChem CID 119614778) has the molecular formula C16H24BrClN2O3 and a molecular weight of 407.74 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
PubChem CID119614778
Molecular FormulaC16H24BrClN2O3
Molecular Weight407.74 g/mol
Exact Mass406.07
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Br)cc(C(=O)NC(CN)C2CC2)cc1OC.Cl
InChIInChI=1S/C16H23BrN2O3.ClH/c1-3-6-22-15-12(17)7-11(8-14(15)21-2)16(20)19-13(9-18)10-4-5-10;/h7-8,10,13H,3-6,9,18H2,1-2H3,(H,19,20);1H
InChIKeyQXAMVNXMLBDFKJ-UHFFFAOYSA-N
XLogP3.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119614001
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119613286
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 119614010
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
CID 106737408
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119616315
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 119213204
N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide
CID 119522830
3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 40896926
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-methoxy-4-propoxyphenyl)methanone;hydrochloride
CID 119518451
3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide
CID 119589329

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride (CID 119614778) is N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride is CCCOc1c(Br)cc(C(=O)NC(CN)C2CC2)cc1OC.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride?
The InChIKey is QXAMVNXMLBDFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3.ClH/c1-3-6-22-15-12(17)7-11(8-14(15)21-2)16(20)19-13(9-18)10-4-5-10;/h7-8,10,13H,3-6,9,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride has a molecular weight of 407.74 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride is sourced from PubChem (CID 119614778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).