2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide

C20H23ClF2N2O2 — CID 162522729

IUPAC2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(Cl)c(Cc2ccc(O)c(C(C)C)c2F)c(C)c1F
InChIInChI=1S/C20H23ClF2N2O2/c1-10(2)18-16(26)6-5-12(20(18)23)7-13-11(3)19(22)15(8-14(13)21)25-9-17(27)24-4/h5-6,8,10,25-26H,7,9H2,1-4H3,(H,24,27)
InChIKeyOPICACMLWRGZBO-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.50
Rot. Bonds6

About 2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide

2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide (PubChem CID 162522729) has the molecular formula C20H23ClF2N2O2 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide
PubChem CID162522729
Molecular FormulaC20H23ClF2N2O2
Molecular Weight396.87 g/mol
Exact Mass396.14
IUPAC Name2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(Cl)c(Cc2ccc(O)c(C(C)C)c2F)c(C)c1F
InChIInChI=1S/C20H23ClF2N2O2/c1-10(2)18-16(26)6-5-12(20(18)23)7-13-11(3)19(22)15(8-14(13)21)25-9-17(27)24-4/h5-6,8,10,25-26H,7,9H2,1-4H3,(H,24,27)
InChIKeyOPICACMLWRGZBO-UHFFFAOYSA-N
XLogP4.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-dichloro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]sulfanylacetic acid
CID 162522625
2-[3,5-dichloro-2-fluoro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]anilino]acetyl chloride
CID 162522792
4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol
CID 170081193
2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide
CID 162522701
2-[4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-prop-1-en-2-ylphenoxy]-N-methylacetamide
CID 162522458
2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N,N-dimethylacetamide
CID 162522452
2-[4-[[4-[1-[5-[[4-(carboxymethyl)-2,6-dichlorophenyl]methyl]-2-[1-[5-[[6-chloro-3-fluoro-2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]phenyl]methyl]-2-hydroxyphenyl]ethoxy]benzoyl]pyrrolidin-3-yl]oxy-3-[(2-oxopiperidin-1-yl)methyl]phenyl]methyl]-3,5-dichlorophenyl]acetic acid
CID 162522790
N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 28574383
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 43545191
2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
CID 43214947
N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54819782
2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide
CID 79840144

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide (CID 162522729) is 2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide is CNC(=O)CNc1cc(Cl)c(Cc2ccc(O)c(C(C)C)c2F)c(C)c1F.
What is the InChIKey of 2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide?
The InChIKey is OPICACMLWRGZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF2N2O2/c1-10(2)18-16(26)6-5-12(20(18)23)7-13-11(3)19(22)15(8-14(13)21)25-9-17(27)24-4/h5-6,8,10,25-26H,7,9H2,1-4H3,(H,24,27).
What are the key properties of 2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide?
2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide has a molecular weight of 396.87 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide is sourced from PubChem (CID 162522729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).