1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide

C14H20ClF3N2O2 — CID 143800866

IUPAC1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide
SMILESC=O.CN[C@H](CCC(F)(F)F)C(N)=O.Cc1ccc(Cl)cc1
InChIInChI=1S/C7H7Cl.C6H11F3N2O.CH2O/c1-6-2-4-7(8)5-3-6;1-11-4(5(10)12)2-3-6(7,8)9;1-2/h2-5H,1H3;4,11H,2-3H2,1H3,(H2,10,12);1H2/t;4-;/m.1./s1
InChIKeyGWTISVMDDAPYMT-NMABVXQLSA-N
MW340.77 g/mol
LogP2.87
Rot. Bonds4

About 1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide

1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide (PubChem CID 143800866) has the molecular formula C14H20ClF3N2O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide.

Molecular Properties

Compound Name1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide
PubChem CID143800866
Molecular FormulaC14H20ClF3N2O2
Molecular Weight340.77 g/mol
Exact Mass340.12
IUPAC Name1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide
SMILESC=O.CN[C@H](CCC(F)(F)F)C(N)=O.Cc1ccc(Cl)cc1
InChIInChI=1S/C7H7Cl.C6H11F3N2O.CH2O/c1-6-2-4-7(8)5-3-6;1-11-4(5(10)12)2-3-6(7,8)9;1-2/h2-5H,1H3;4,11H,2-3H2,1H3,(H2,10,12);1H2/t;4-;/m.1./s1
InChIKeyGWTISVMDDAPYMT-NMABVXQLSA-N
XLogP2.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-(4-methylphenyl)sulfanylbutanamide
CID 63034830
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547
2,5-bis(methylamino)hexanediamide
CID 66221520
2-(benzylamino)-5,5,5-trifluoropentanamide
CID 67121979
methane;(2R)-5,5,5-trifluoro-2-[[(1R)-1-phenylethyl]amino]pentanamide;5,5,5-trifluoro-2-[[(1R)-1-phenylethyl]amino]pentanamide;hydrochloride
CID 159943612
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide
CID 102722798
2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide
CID 63035550
2-[1-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5,5,5-trifluoropentanoic acid
CID 123201454
ethyl 2-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892665
(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide
CID 63040857
7,7,7-trifluoro-N-methyl-1-(4-methylphenyl)heptan-3-amine
CID 105174240

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide?
The IUPAC name of 1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide (CID 143800866) is 1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide.
What is the SMILES notation for 1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide?
The canonical SMILES for 1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide is C=O.CN[C@H](CCC(F)(F)F)C(N)=O.Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide?
The InChIKey is GWTISVMDDAPYMT-NMABVXQLSA-N. The full InChI is InChI=1S/C7H7Cl.C6H11F3N2O.CH2O/c1-6-2-4-7(8)5-3-6;1-11-4(5(10)12)2-3-6(7,8)9;1-2/h2-5H,1H3;4,11H,2-3H2,1H3,(H2,10,12);1H2/t;4-;/m.1./s1.
What are the key properties of 1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide?
1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide has a molecular weight of 340.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylbenzene;formaldehyde;(2R)-5,5,5-trifluoro-2-(methylamino)pentanamide is sourced from PubChem (CID 143800866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).