(2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide

C24H23ClF4N4O3 — CID 25098187

IUPAC(2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](N[C@H](CCc1cnc(Cl)cn1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1
InChIInChI=1S/C24H23ClF4N4O3/c1-30-22(34)21(14-5-3-2-4-6-14)33-17(9-8-16-12-32-20(25)13-31-16)15-7-10-18(35-23(26)27)19(11-15)36-24(28)29/h2-7,10-13,17,21,23-24,33H,8-9H2,1H3,(H,30,34)/t17-,21+/m1/s1
InChIKeyCJYCWOINHFNNIV-UTKZUKDTSA-N
MW526.92 g/mol
LogP5.08
Rot. Bonds12

About (2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide

(2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 25098187) has the molecular formula C24H23ClF4N4O3 and a molecular weight of 526.92 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide
PubChem CID25098187
Molecular FormulaC24H23ClF4N4O3
Molecular Weight526.92 g/mol
Exact Mass526.14
IUPAC Name(2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](N[C@H](CCc1cnc(Cl)cn1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1
InChIInChI=1S/C24H23ClF4N4O3/c1-30-22(34)21(14-5-3-2-4-6-14)33-17(9-8-16-12-32-20(25)13-31-16)15-7-10-18(35-23(26)27)19(11-15)36-24(28)29/h2-7,10-13,17,21,23-24,33H,8-9H2,1H3,(H,30,34)/t17-,21+/m1/s1
InChIKeyCJYCWOINHFNNIV-UTKZUKDTSA-N
XLogP5.08
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.92
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 59553683
2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 68764746
(2R)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 59553549
(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 25095852
2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide
CID 145469288
(2S)-2-[[(1S)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
CID 87567034
(2R)-2-[[(1S)-1-(4-methoxy-3-propan-2-yloxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553671
(2R)-2-[[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553628
(2R)-2-[[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553616
(2R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 59553823
2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68768464
1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one
CID 87567115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide (CID 25098187) is (2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)[C@@H](N[C@H](CCc1cnc(Cl)cn1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1.
What is the InChIKey of (2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is CJYCWOINHFNNIV-UTKZUKDTSA-N. The full InChI is InChI=1S/C24H23ClF4N4O3/c1-30-22(34)21(14-5-3-2-4-6-14)33-17(9-8-16-12-32-20(25)13-31-16)15-7-10-18(35-23(26)27)19(11-15)36-24(28)29/h2-7,10-13,17,21,23-24,33H,8-9H2,1H3,(H,30,34)/t17-,21+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide?
(2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 526.92 g/mol, XLogP of 5.08, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 25098187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).