N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide

C20H24ClFN2O2 — CID 41023049

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C
InChIInChI=1S/C20H24ClFN2O2/c1-12(2)20(14-5-7-15(22)8-6-14)23-11-19(25)24-17-9-13(3)16(21)10-18(17)26-4/h5-10,12,20,23H,11H2,1-4H3,(H,24,25)/t20-/m0/s1
InChIKeyWBDZQODZBODEJD-FQEVSTJZSA-N
MW378.88 g/mol
LogP4.72
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (PubChem CID 41023049) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
PubChem CID41023049
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C
InChIInChI=1S/C20H24ClFN2O2/c1-12(2)20(14-5-7-15(22)8-6-14)23-11-19(25)24-17-9-13(3)16(21)10-18(17)26-4/h5-10,12,20,23H,11H2,1-4H3,(H,24,25)/t20-/m0/s1
InChIKeyWBDZQODZBODEJD-FQEVSTJZSA-N
XLogP4.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide with MolForge

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 26540797
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 40987640
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 4781884
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109011257
2-(2-bromo-4-fluorophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 40604024
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16598693
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (CID 41023049) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is WBDZQODZBODEJD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24ClFN2O2/c1-12(2)20(14-5-7-15(22)8-6-14)23-11-19(25)24-17-9-13(3)16(21)10-18(17)26-4/h5-10,12,20,23H,11H2,1-4H3,(H,24,25)/t20-/m0/s1.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 378.88 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 41023049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).