N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide

C19H21BrF2N2O3 — CID 55628132

IUPACN-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(Br)cc2)cc1OC(F)F
InChIInChI=1S/C19H21BrF2N2O3/c1-12(18(25)23-15-7-5-14(20)6-8-15)24(2)11-13-4-9-16(26-3)17(10-13)27-19(21)22/h4-10,12,19H,11H2,1-3H3,(H,23,25)
InChIKeyRNFMWFPEJRTZDZ-UHFFFAOYSA-N
MW443.29 g/mol
LogP4.52
Rot. Bonds8

About N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide

N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide (PubChem CID 55628132) has the molecular formula C19H21BrF2N2O3 and a molecular weight of 443.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
PubChem CID55628132
Molecular FormulaC19H21BrF2N2O3
Molecular Weight443.29 g/mol
Exact Mass442.07
IUPAC NameN-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(Br)cc2)cc1OC(F)F
InChIInChI=1S/C19H21BrF2N2O3/c1-12(18(25)23-15-7-5-14(20)6-8-15)24(2)11-13-4-9-16(26-3)17(10-13)27-19(21)22/h4-10,12,19H,11H2,1-3H3,(H,23,25)
InChIKeyRNFMWFPEJRTZDZ-UHFFFAOYSA-N
XLogP4.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-naphthalen-2-ylpropanamide
CID 55628174
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42911485
4-[[(2S)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propanoyl]amino]benzamide
CID 51939505
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 55524825
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46406054
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 86931168
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46632198
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 46406134
N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
CID 55853485
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
CID 9039901
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 26374826

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide?
The IUPAC name of N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide (CID 55628132) is N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide is COc1ccc(CN(C)C(C)C(=O)Nc2ccc(Br)cc2)cc1OC(F)F.
What is the InChIKey of N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide?
The InChIKey is RNFMWFPEJRTZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrF2N2O3/c1-12(18(25)23-15-7-5-14(20)6-8-15)24(2)11-13-4-9-16(26-3)17(10-13)27-19(21)22/h4-10,12,19H,11H2,1-3H3,(H,23,25).
What are the key properties of N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide?
N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide has a molecular weight of 443.29 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide is sourced from PubChem (CID 55628132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).