2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide

C14H19BrN2O2 — CID 102978738

IUPAC2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
SMILESCOCCC1(CNC(=O)c2ccc(Br)cc2N)CC1
InChIInChI=1S/C14H19BrN2O2/c1-19-7-6-14(4-5-14)9-17-13(18)11-3-2-10(15)8-12(11)16/h2-3,8H,4-7,9,16H2,1H3,(H,17,18)
InChIKeyAZUKIHAWJGPVKR-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.58
Rot. Bonds6

About 2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide

2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide (PubChem CID 102978738) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
PubChem CID102978738
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
SMILESCOCCC1(CNC(=O)c2ccc(Br)cc2N)CC1
InChIInChI=1S/C14H19BrN2O2/c1-19-7-6-14(4-5-14)9-17-13(18)11-3-2-10(15)8-12(11)16/h2-3,8H,4-7,9,16H2,1H3,(H,17,18)
InChIKeyAZUKIHAWJGPVKR-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]benzamide
CID 119945992
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 103800012
2-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylbenzamide
CID 103801693
5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
CID 114758312
2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 79722870
2-methoxyethyl 2-amino-4-bromobenzoate
CID 61303052
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103800048
4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 103799996
4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925064
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
2-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
CID 103801673

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide (CID 102978738) is 2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide is COCCC1(CNC(=O)c2ccc(Br)cc2N)CC1.
What is the InChIKey of 2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The InChIKey is AZUKIHAWJGPVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-19-7-6-14(4-5-14)9-17-13(18)11-3-2-10(15)8-12(11)16/h2-3,8H,4-7,9,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 102978738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).