N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide

C17H16BrClFNO2 — CID 55770838

IUPACN-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCOc1ccc(F)cc1Cl
InChIInChI=1S/C17H16BrClFNO2/c1-21(11-12-4-2-3-5-14(12)18)17(22)8-9-23-16-7-6-13(20)10-15(16)19/h2-7,10H,8-9,11H2,1H3
InChIKeyOEYIMFWQNOKAEL-UHFFFAOYSA-N
MW400.68 g/mol
LogP4.67
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide

N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide (PubChem CID 55770838) has the molecular formula C17H16BrClFNO2 and a molecular weight of 400.68 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide
PubChem CID55770838
Molecular FormulaC17H16BrClFNO2
Molecular Weight400.68 g/mol
Exact Mass399.00
IUPAC NameN-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCOc1ccc(F)cc1Cl
InChIInChI=1S/C17H16BrClFNO2/c1-21(11-12-4-2-3-5-14(12)18)17(22)8-9-23-16-7-6-13(20)10-15(16)19/h2-7,10H,8-9,11H2,1H3
InChIKeyOEYIMFWQNOKAEL-UHFFFAOYSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.68
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529
N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 134018541
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55833951
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
2-(2-chloro-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112778718
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55880579

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide (CID 55770838) is N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide is CN(Cc1ccccc1Br)C(=O)CCOc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide?
The InChIKey is OEYIMFWQNOKAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFNO2/c1-21(11-12-4-2-3-5-14(12)18)17(22)8-9-23-16-7-6-13(20)10-15(16)19/h2-7,10H,8-9,11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide?
N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide has a molecular weight of 400.68 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 55770838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).