N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide

C14H18Br2N2O2 — CID 78977647

IUPACN-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide
SMILESCOc1c(Br)cc(Br)cc1CNCCC(=O)NC1CC1
InChIInChI=1S/C14H18Br2N2O2/c1-20-14-9(6-10(15)7-12(14)16)8-17-5-4-13(19)18-11-2-3-11/h6-7,11,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyOBDOLFOAMNOOEG-UHFFFAOYSA-N
MW406.12 g/mol
LogP2.98
Rot. Bonds7

About N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide

N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide (PubChem CID 78977647) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide
PubChem CID78977647
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC NameN-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide
SMILESCOc1c(Br)cc(Br)cc1CNCCC(=O)NC1CC1
InChIInChI=1S/C14H18Br2N2O2/c1-20-14-9(6-10(15)7-12(14)16)8-17-5-4-13(19)18-11-2-3-11/h6-7,11,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyOBDOLFOAMNOOEG-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 47112268
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
CID 4719896
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide
CID 103792790
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78977857
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43224145
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78978873
N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
CID 62627188
N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 79386217
(1S)-1-cyclopentyl-N-[(3,5-dibromo-2-methoxyphenyl)methyl]ethanamine
CID 81386867
ethyl 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]acetate
CID 60811348
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-ethenoxypropan-1-amine
CID 43220909

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide (CID 78977647) is N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide is COc1c(Br)cc(Br)cc1CNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide?
The InChIKey is OBDOLFOAMNOOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-20-14-9(6-10(15)7-12(14)16)8-17-5-4-13(19)18-11-2-3-11/h6-7,11,17H,2-5,8H2,1H3,(H,18,19).
What are the key properties of N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide?
N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide has a molecular weight of 406.12 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 78977647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).