methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate

C28H27ClF3NO5 — CID 168751677

IUPACmethyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate
SMILESCOC(=O)[C@@H](NC(=O)c1ccc2ccc(Cl)cc2c1OCc1ccc(OC(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C28H27ClF3NO5/c1-36-27(35)24(19-5-3-2-4-6-19)33-26(34)22-14-10-18-9-11-20(29)15-23(18)25(22)37-16-17-7-12-21(13-8-17)38-28(30,31)32/h7-15,19,24H,2-6,16H2,1H3,(H,33,34)/t24-/m0/s1
InChIKeyWKJAOKZQNVVWEW-DEOSSOPVSA-N
MW549.97 g/mol
LogP6.82
Rot. Bonds8

About methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate

methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate (PubChem CID 168751677) has the molecular formula C28H27ClF3NO5 and a molecular weight of 549.97 g/mol. Its IUPAC name is methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate
PubChem CID168751677
Molecular FormulaC28H27ClF3NO5
Molecular Weight549.97 g/mol
Exact Mass549.15
IUPAC Namemethyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate
SMILESCOC(=O)[C@@H](NC(=O)c1ccc2ccc(Cl)cc2c1OCc1ccc(OC(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C28H27ClF3NO5/c1-36-27(35)24(19-5-3-2-4-6-19)33-26(34)22-14-10-18-9-11-20(29)15-23(18)25(22)37-16-17-7-12-21(13-8-17)38-28(30,31)32/h7-15,19,24H,2-6,16H2,1H3,(H,33,34)/t24-/m0/s1
InChIKeyWKJAOKZQNVVWEW-DEOSSOPVSA-N
XLogP6.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.97
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate 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

N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid
CID 174532511
(2S)-2-[[3-chloro-5-[[4-(trifluoromethoxy)phenyl]methoxy]isoquinoline-6-carbonyl]amino]-3,3-dimethylpentanoic acid
CID 168751601
(2S)-2-[[7-isocyano-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 168751623
(2S)-2-[[7-fluoro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-[1-(trifluoromethyl)cyclopropyl]acetic acid
CID 168751637
(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
CID 168751666
(2S)-3,3-dimethyl-2-[[8-[[4-(trifluoromethoxy)phenyl]methoxy]quinoline-7-carbonyl]amino]butanoic acid
CID 168751627
N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide
CID 146206489
methyl 2-acetyl-5-[(4-chlorophenyl)methoxy]benzoate
CID 91864100
N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
CID 106737554
(2S)-2-[[2-(hydroxymethyl)-8-[[4-(trifluoromethoxy)phenyl]methoxy]quinoline-7-carbonyl]amino]-3,3-dimethylpentanoic acid
CID 168751715
(2S)-2-[[6-fluoro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-(3-hydroxy-1-adamantyl)acetic acid
CID 168751883
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-chloro-2-hydroxybenzamide
CID 61122009

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate?
The IUPAC name of methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate (CID 168751677) is methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate.
What is the SMILES notation for methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate?
The canonical SMILES for methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate is COC(=O)[C@@H](NC(=O)c1ccc2ccc(Cl)cc2c1OCc1ccc(OC(F)(F)F)cc1)C1CCCCC1.
What is the InChIKey of methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate?
The InChIKey is WKJAOKZQNVVWEW-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H27ClF3NO5/c1-36-27(35)24(19-5-3-2-4-6-19)33-26(34)22-14-10-18-9-11-20(29)15-23(18)25(22)37-16-17-7-12-21(13-8-17)38-28(30,31)32/h7-15,19,24H,2-6,16H2,1H3,(H,33,34)/t24-/m0/s1.
What are the key properties of methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate?
methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate has a molecular weight of 549.97 g/mol, XLogP of 6.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[7-chloro-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate is sourced from PubChem (CID 168751677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).