2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide

C14H16BrClFNO — CID 62855039

IUPAC2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
SMILESCCC(Br)C(=O)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C14H16BrClFNO/c1-2-11(15)14(19)18(9-6-7-9)8-10-12(16)4-3-5-13(10)17/h3-5,9,11H,2,6-8H2,1H3
InChIKeyANJMVHGFGUBALU-UHFFFAOYSA-N
MW348.64 g/mol
LogP4.14
Rot. Bonds5

About 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide

2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide (PubChem CID 62855039) has the molecular formula C14H16BrClFNO and a molecular weight of 348.64 g/mol. Its IUPAC name is 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
PubChem CID62855039
Molecular FormulaC14H16BrClFNO
Molecular Weight348.64 g/mol
Exact Mass347.01
IUPAC Name2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
SMILESCCC(Br)C(=O)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C14H16BrClFNO/c1-2-11(15)14(19)18(9-6-7-9)8-10-12(16)4-3-5-13(10)17/h3-5,9,11H,2,6-8H2,1H3
InChIKeyANJMVHGFGUBALU-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.64
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 65230216
cis-(1R,3S)-3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]cyclopentane-1-carboxylic acid
CID 171912650
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72880935
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 63715633
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 122570529
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
(2S)-2-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 126445534
4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]amino]-N,N-dimethylbutanamide
CID 122568629

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide?
The IUPAC name of 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide (CID 62855039) is 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide.
What is the SMILES notation for 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide?
The canonical SMILES for 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide is CCC(Br)C(=O)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide?
The InChIKey is ANJMVHGFGUBALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFNO/c1-2-11(15)14(19)18(9-6-7-9)8-10-12(16)4-3-5-13(10)17/h3-5,9,11H,2,6-8H2,1H3.
What are the key properties of 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide?
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide has a molecular weight of 348.64 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide is sourced from PubChem (CID 62855039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).