(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide

C17H17ClF2N2O — CID 97200430

IUPAC(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
SMILESCN(C)[C@@H](C(=O)NCc1c(F)cccc1Cl)c1cccc(F)c1
InChIInChI=1S/C17H17ClF2N2O/c1-22(2)16(11-5-3-6-12(19)9-11)17(23)21-10-13-14(18)7-4-8-15(13)20/h3-9,16H,10H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyLFBIHDZQYZCTGO-MRXNPFEDSA-N
MW338.79 g/mol
LogP3.54
Rot. Bonds5

About (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide

(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide (PubChem CID 97200430) has the molecular formula C17H17ClF2N2O and a molecular weight of 338.79 g/mol. Its IUPAC name is (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
PubChem CID97200430
Molecular FormulaC17H17ClF2N2O
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
SMILESCN(C)[C@@H](C(=O)NCc1c(F)cccc1Cl)c1cccc(F)c1
InChIInChI=1S/C17H17ClF2N2O/c1-22(2)16(11-5-3-6-12(19)9-11)17(23)21-10-13-14(18)7-4-8-15(13)20/h3-9,16H,10H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyLFBIHDZQYZCTGO-MRXNPFEDSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide
CID 97187528
2-(2-chloro-6-fluorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 51179425
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 97194521
4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
CID 72849600
2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 72890893
(2R)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 95119707
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97204908
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 97196249
(2R)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 97201809
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 97199090
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
The IUPAC name of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide (CID 97200430) is (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide is CN(C)[C@@H](C(=O)NCc1c(F)cccc1Cl)c1cccc(F)c1.
What is the InChIKey of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
The InChIKey is LFBIHDZQYZCTGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17ClF2N2O/c1-22(2)16(11-5-3-6-12(19)9-11)17(23)21-10-13-14(18)7-4-8-15(13)20/h3-9,16H,10H2,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide?
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide has a molecular weight of 338.79 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 97200430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).