(2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide

C19H29ClFN3O2 — CID 119849378

IUPAC(2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC1CN(C(CNC(=O)[C@@H](N)C(C)(C)C)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C19H29ClFN3O2/c1-12-11-24(8-9-26-12)15(16-13(20)6-5-7-14(16)21)10-23-18(25)17(22)19(2,3)4/h5-7,12,15,17H,8-11,22H2,1-4H3,(H,23,25)/t12?,15?,17-/m1/s1
InChIKeyUYXSEHRXUFGXKO-MWHAMWOXSA-N
MW385.91 g/mol
LogP2.73
Rot. Bonds5

About (2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide (PubChem CID 119849378) has the molecular formula C19H29ClFN3O2 and a molecular weight of 385.91 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide
PubChem CID119849378
Molecular FormulaC19H29ClFN3O2
Molecular Weight385.91 g/mol
Exact Mass385.19
IUPAC Name(2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide
SMILESCC1CN(C(CNC(=O)[C@@H](N)C(C)(C)C)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C19H29ClFN3O2/c1-12-11-24(8-9-26-12)15(16-13(20)6-5-7-14(16)21)10-23-18(25)17(22)19(2,3)4/h5-7,12,15,17H,8-11,22H2,1-4H3,(H,23,25)/t12?,15?,17-/m1/s1
InChIKeyUYXSEHRXUFGXKO-MWHAMWOXSA-N
XLogP2.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide 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

2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119849364
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]acetamide
CID 51080950
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-3-methylbutanamide
CID 94866265
2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide
CID 47035989
2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide
CID 55714599
trans-(1S,3S)-3-amino-N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]cyclopentane-1-carboxamide
CID 125119917
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(methylamino)butanamide
CID 119849366
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513372
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86990626
4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 52501681
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 154750278
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2-fluorophenoxy)butanamide
CID 60550013

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide (CID 119849378) is (2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide is CC1CN(C(CNC(=O)[C@@H](N)C(C)(C)C)c2c(F)cccc2Cl)CCO1.
What is the InChIKey of (2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is UYXSEHRXUFGXKO-MWHAMWOXSA-N. The full InChI is InChI=1S/C19H29ClFN3O2/c1-12-11-24(8-9-26-12)15(16-13(20)6-5-7-14(16)21)10-23-18(25)17(22)19(2,3)4/h5-7,12,15,17H,8-11,22H2,1-4H3,(H,23,25)/t12?,15?,17-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 385.91 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119849378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).