3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide

C13H17BrN2O — CID 63954686

IUPAC3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
SMILESCCN(CC1CC1)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H17BrN2O/c1-2-16(8-9-3-4-9)13(17)10-5-6-11(14)12(15)7-10/h5-7,9H,2-4,8,15H2,1H3
InChIKeyMCMOXYNXALVHNG-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.90
Rot. Bonds4

About 3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide

3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide (PubChem CID 63954686) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
PubChem CID63954686
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
SMILESCCN(CC1CC1)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H17BrN2O/c1-2-16(8-9-3-4-9)13(17)10-5-6-11(14)12(15)7-10/h5-7,9H,2-4,8,15H2,1H3
InChIKeyMCMOXYNXALVHNG-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
3-amino-4-bromo-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 61117454
5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107396879
3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
CID 61443550
2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 63939345
3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725709
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
CID 107728572
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79700663
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide?
The IUPAC name of 3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide (CID 63954686) is 3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide is CCN(CC1CC1)C(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide?
The InChIKey is MCMOXYNXALVHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-2-16(8-9-3-4-9)13(17)10-5-6-11(14)12(15)7-10/h5-7,9H,2-4,8,15H2,1H3.
What are the key properties of 3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide?
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide has a molecular weight of 297.20 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide is sourced from PubChem (CID 63954686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).