N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide

C20H22F3NO2 — CID 134951267

IUPACN-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide
SMILESCO[C@H](NC(=O)c1ccccc1)c1ccccc1CC(C)CC(F)(F)F
InChIInChI=1S/C20H22F3NO2/c1-14(13-20(21,22)23)12-16-10-6-7-11-17(16)19(26-2)24-18(25)15-8-4-3-5-9-15/h3-11,14,19H,12-13H2,1-2H3,(H,24,25)/t14?,19-/m0/s1
InChIKeyRZNOGXAMRHXEPW-PKDNWHCCSA-N
MW365.40 g/mol
LogP4.89
Rot. Bonds7

About N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide

N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide (PubChem CID 134951267) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide
PubChem CID134951267
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide
SMILESCO[C@H](NC(=O)c1ccccc1)c1ccccc1CC(C)CC(F)(F)F
InChIInChI=1S/C20H22F3NO2/c1-14(13-20(21,22)23)12-16-10-6-7-11-17(16)19(26-2)24-18(25)15-8-4-3-5-9-15/h3-11,14,19H,12-13H2,1-2H3,(H,24,25)/t14?,19-/m0/s1
InChIKeyRZNOGXAMRHXEPW-PKDNWHCCSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
N-isopropyl-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 891620
Methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate
CID 4808058
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
Methyl 4''-{[({1-[(3,3,3-trifluoropropanoyl)amino]cyclopropyl}carbonyl)amino]methyl}-1,1''-biphenyl-2-carboxylate
CID 11546560
Methyl 3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzoate
CID 72195505
N-cyclohexyl-3-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 1223159
2'-[(Isobutylamino)carbonyl]-2-biphenylcarboxylic acid
CID 683373
methyl 4-[(R)-benzamido-[(1R,2R)-1,2-dipropylcyclopropyl]methyl]benzoate
CID 5461310
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
[2''-(1-Carbamoyl-3-methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 11070755
Methyl 2-[4-[[[1-(3,3,3-trifluoropropanoylamino)cyclopentanecarbonyl]amino]methyl]phenyl]benzoate
CID 11641218

Frequently Asked Questions

What is the IUPAC name of N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide?
The IUPAC name of N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide (CID 134951267) is N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide is CO[C@H](NC(=O)c1ccccc1)c1ccccc1CC(C)CC(F)(F)F.
What is the InChIKey of N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide?
The InChIKey is RZNOGXAMRHXEPW-PKDNWHCCSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-14(13-20(21,22)23)12-16-10-6-7-11-17(16)19(26-2)24-18(25)15-8-4-3-5-9-15/h3-11,14,19H,12-13H2,1-2H3,(H,24,25)/t14?,19-/m0/s1.
What are the key properties of N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide?
N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide has a molecular weight of 365.40 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-methoxy-[2-(4,4,4-trifluoro-2-methylbutyl)phenyl]methyl]benzamide is sourced from PubChem (CID 134951267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).