(2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide

C19H21F2NO — CID 145175354

IUPAC(2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
SMILESCc1ccc(N(C)C(=O)[C@@H](C)Cc2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C19H21F2NO/c1-12-5-6-18(8-13(12)2)22(4)19(23)14(3)7-15-9-16(20)11-17(21)10-15/h5-6,8-11,14H,7H2,1-4H3/t14-/m0/s1
InChIKeyAVDVEFRMICWREU-AWEZNQCLSA-N
MW317.38 g/mol
LogP4.42
Rot. Bonds4

About (2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide

(2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide (PubChem CID 145175354) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is (2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
PubChem CID145175354
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
SMILESCc1ccc(N(C)C(=O)[C@@H](C)Cc2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C19H21F2NO/c1-12-5-6-18(8-13(12)2)22(4)19(23)14(3)7-15-9-16(20)11-17(21)10-15/h5-6,8-11,14H,7H2,1-4H3/t14-/m0/s1
InChIKeyAVDVEFRMICWREU-AWEZNQCLSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
(2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide
CID 97020341
3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide
CID 23589518
N-(3,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 123550338
(2S)-3-(3,5-difluorophenyl)-N-methyl-2-(methylamino)-N-quinoxalin-6-ylpropanamide
CID 122647583
(2S)-2-amino-3-(3,5-difluorophenyl)-N-(4-ethylphenyl)-N-methylpropanamide;sulfane
CID 161382530
[1-[1,2,3-benzothiadiazol-5-yl(methyl)amino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamic acid
CID 122640288
(2S)-2-amino-3-(3,5-difluorophenyl)-N-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide
CID 122641785
tert-butyl N-[(2S)-3-(3,5-difluorophenyl)-1-(4-ethyl-N-methylanilino)-1-oxopropan-2-yl]carbamate;sulfane
CID 160783229
N-(3,4-dimethylphenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188788
3-(3,5-difluorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(piperidin-1-ylsulfanylcarbamoylamino)propanamide
CID 146594453
N-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 110618633

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide (CID 145175354) is (2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide is Cc1ccc(N(C)C(=O)[C@@H](C)Cc2cc(F)cc(F)c2)cc1C.
What is the InChIKey of (2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide?
The InChIKey is AVDVEFRMICWREU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21F2NO/c1-12-5-6-18(8-13(12)2)22(4)19(23)14(3)7-15-9-16(20)11-17(21)10-15/h5-6,8-11,14H,7H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide?
(2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide has a molecular weight of 317.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 145175354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).