(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide

C20H22F2N2O5 — CID 51939888

IUPAC(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide
SMILESCOCC(=O)N[C@@H](C)C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1
InChIInChI=1S/C20H22F2N2O5/c1-12(23-18(25)11-27-2)19(26)24-14-6-9-17(29-20(21)22)16(10-14)13-4-7-15(28-3)8-5-13/h4-10,12,20H,11H2,1-3H3,(H,23,25)(H,24,26)/t12-/m0/s1
InChIKeyFNDHIZKHXQUHOZ-LBPRGKRZSA-N
MW408.40 g/mol
LogP3.05
Rot. Bonds9

About (2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide

(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide (PubChem CID 51939888) has the molecular formula C20H22F2N2O5 and a molecular weight of 408.40 g/mol. Its IUPAC name is (2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide
PubChem CID51939888
Molecular FormulaC20H22F2N2O5
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC Name(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide
SMILESCOCC(=O)N[C@@H](C)C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1
InChIInChI=1S/C20H22F2N2O5/c1-12(23-18(25)11-27-2)19(26)24-14-6-9-17(29-20(21)22)16(10-14)13-4-7-15(28-3)8-5-13/h4-10,12,20H,11H2,1-3H3,(H,23,25)(H,24,26)/t12-/m0/s1
InChIKeyFNDHIZKHXQUHOZ-LBPRGKRZSA-N
XLogP3.05
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylbutanamide
CID 24576079
2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide
CID 24576064
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 46813370
(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 24513090
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-fluoro-4-methoxybenzamide
CID 24513384
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597982
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide
CID 46674438
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24576066
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 37040678
1-butyl-3-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]thiourea
CID 9213948
4-amino-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-nitrobenzamide
CID 37040670

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide?
The IUPAC name of (2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide (CID 51939888) is (2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide is COCC(=O)N[C@@H](C)C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1.
What is the InChIKey of (2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide?
The InChIKey is FNDHIZKHXQUHOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H22F2N2O5/c1-12(23-18(25)11-27-2)19(26)24-14-6-9-17(29-20(21)22)16(10-14)13-4-7-15(28-3)8-5-13/h4-10,12,20H,11H2,1-3H3,(H,23,25)(H,24,26)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide?
(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide has a molecular weight of 408.40 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide is sourced from PubChem (CID 51939888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).