3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide

C18H19ClF2N2O2 — CID 119813958

IUPAC3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCc1cc(Cl)ccc1OC(F)F)C(N)c1ccccc1
InChIInChI=1S/C18H19ClF2N2O2/c1-11(16(22)12-5-3-2-4-6-12)17(24)23-10-13-9-14(19)7-8-15(13)25-18(20)21/h2-9,11,16,18H,10,22H2,1H3,(H,23,24)
InChIKeyOYAQONUTBRHDQK-UHFFFAOYSA-N
MW368.81 g/mol
LogP3.89
Rot. Bonds7

About 3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide

3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide (PubChem CID 119813958) has the molecular formula C18H19ClF2N2O2 and a molecular weight of 368.81 g/mol. Its IUPAC name is 3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide
PubChem CID119813958
Molecular FormulaC18H19ClF2N2O2
Molecular Weight368.81 g/mol
Exact Mass368.11
IUPAC Name3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCc1cc(Cl)ccc1OC(F)F)C(N)c1ccccc1
InChIInChI=1S/C18H19ClF2N2O2/c1-11(16(22)12-5-3-2-4-6-12)17(24)23-10-13-9-14(19)7-8-15(13)25-18(20)21/h2-9,11,16,18H,10,22H2,1H3,(H,23,24)
InChIKeyOYAQONUTBRHDQK-UHFFFAOYSA-N
XLogP3.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.81
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120991501
3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119816495
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylbutanamide
CID 120500084
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide
CID 119804637
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
CID 61464183
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119804636
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 43425516
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119886342
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide (CID 119813958) is 3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide is CC(C(=O)NCc1cc(Cl)ccc1OC(F)F)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide?
The InChIKey is OYAQONUTBRHDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O2/c1-11(16(22)12-5-3-2-4-6-12)17(24)23-10-13-9-14(19)7-8-15(13)25-18(20)21/h2-9,11,16,18H,10,22H2,1H3,(H,23,24).
What are the key properties of 3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide has a molecular weight of 368.81 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119813958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).