2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide

C19H21ClF2N2O2 — CID 8637595

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESC[C@H](NCC(=O)NCCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClF2N2O2/c1-13(15-4-6-16(20)7-5-15)24-12-18(25)23-11-10-14-2-8-17(9-3-14)26-19(21)22/h2-9,13,19,24H,10-12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyPIGPANHRZCEYKI-ZDUSSCGKSA-N
MW382.84 g/mol
LogP3.95
Rot. Bonds9

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 8637595) has the molecular formula C19H21ClF2N2O2 and a molecular weight of 382.84 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
PubChem CID8637595
Molecular FormulaC19H21ClF2N2O2
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESC[C@H](NCC(=O)NCCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClF2N2O2/c1-13(15-4-6-16(20)7-5-15)24-12-18(25)23-11-10-14-2-8-17(9-3-14)26-19(21)22/h2-9,13,19,24H,10-12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyPIGPANHRZCEYKI-ZDUSSCGKSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide;oxalic acid
CID 47006345
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695568
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229445
2-(2,4-dichlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 18267777
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827
N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354492
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912541
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(2-cyanoethyl)acetamide
CID 34698036

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide (CID 8637595) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is C[C@H](NCC(=O)NCCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is PIGPANHRZCEYKI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21ClF2N2O2/c1-13(15-4-6-16(20)7-5-15)24-12-18(25)23-11-10-14-2-8-17(9-3-14)26-19(21)22/h2-9,13,19,24H,10-12H2,1H3,(H,23,25)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 382.84 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 8637595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).