5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide

C15H20BrFN2O — CID 62815083

IUPAC5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1cc(N)c(F)cc1Br)C1CC1
InChIInChI=1S/C15H20BrFN2O/c1-9(2)5-6-19(10-3-4-10)15(20)11-7-14(18)13(17)8-12(11)16/h7-10H,3-6,18H2,1-2H3
InChIKeyCYTPBJWYFSYHOV-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.82
Rot. Bonds5

About 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide

5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide (PubChem CID 62815083) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide
PubChem CID62815083
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1cc(N)c(F)cc1Br)C1CC1
InChIInChI=1S/C15H20BrFN2O/c1-9(2)5-6-19(10-3-4-10)15(20)11-7-14(18)13(17)8-12(11)16/h7-10H,3-6,18H2,1-2H3
InChIKeyCYTPBJWYFSYHOV-UHFFFAOYSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.82
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

5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 62816289
5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
CID 62814715
5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 62816823
2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
CID 61105374
5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 62815256
4-amino-N-cyclopropyl-6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 81239834
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide
CID 107952814
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 62814554
5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
CID 62816642
5-amino-2-bromo-4-fluoro-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 62815082
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide (CID 62815083) is 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide is CC(C)CCN(C(=O)c1cc(N)c(F)cc1Br)C1CC1.
What is the InChIKey of 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide?
The InChIKey is CYTPBJWYFSYHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-9(2)5-6-19(10-3-4-10)15(20)11-7-14(18)13(17)8-12(11)16/h7-10H,3-6,18H2,1-2H3.
What are the key properties of 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide?
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide has a molecular weight of 343.24 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 62815083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).