5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide

C24H24F2N2O2 — CID 177380696

IUPAC5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide
SMILESCc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C24H24F2N2O2/c1-15-6-8-20(30-11-10-27)14-22(15)24(29)28-16(2)17-4-3-5-18(12-17)21-9-7-19(25)13-23(21)26/h3-9,12-14,16H,10-11,27H2,1-2H3,(H,28,29)/t16-/m1/s1
InChIKeyCZINNVGJJNJFDN-MRXNPFEDSA-N
MW410.46 g/mol
LogP4.77
Rot. Bonds7

About 5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide

5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide (PubChem CID 177380696) has the molecular formula C24H24F2N2O2 and a molecular weight of 410.46 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide
PubChem CID177380696
Molecular FormulaC24H24F2N2O2
Molecular Weight410.46 g/mol
Exact Mass410.18
IUPAC Name5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide
SMILESCc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C24H24F2N2O2/c1-15-6-8-20(30-11-10-27)14-22(15)24(29)28-16(2)17-4-3-5-18(12-17)21-9-7-19(25)13-23(21)26/h3-9,12-14,16H,10-11,27H2,1-2H3,(H,28,29)/t16-/m1/s1
InChIKeyCZINNVGJJNJFDN-MRXNPFEDSA-N
XLogP4.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,4-difluorophenyl)phenyl]-N-methylethanamine
CID 61034414
3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid
CID 135367202
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
CID 42961731
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride
CID 166174909
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292
2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine
CID 163407569
5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
CID 11689522
5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide
CID 141125072
N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-methylbenzamide
CID 106357210
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
CID 118781955

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide?
The IUPAC name of 5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide (CID 177380696) is 5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide?
The canonical SMILES for 5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide is Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2ccc(F)cc2F)c1.
What is the InChIKey of 5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide?
The InChIKey is CZINNVGJJNJFDN-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24F2N2O2/c1-15-6-8-20(30-11-10-27)14-22(15)24(29)28-16(2)17-4-3-5-18(12-17)21-9-7-19(25)13-23(21)26/h3-9,12-14,16H,10-11,27H2,1-2H3,(H,28,29)/t16-/m1/s1.
What are the key properties of 5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide?
5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide has a molecular weight of 410.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-N-[(1R)-1-[3-(2,4-difluorophenyl)phenyl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 177380696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).