(2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide

C17H15Cl2N3O — CID 59923584

IUPAC(2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide
SMILESC[C@@](N)(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c1-17(21,9-11-2-4-12(10-20)5-3-11)16(23)22-15-7-13(18)6-14(19)8-15/h2-8H,9,21H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyFYEPWBBZNPYQJC-QGZVFWFLSA-N
MW348.23 g/mol
LogP3.76
Rot. Bonds4

About (2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide

(2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide (PubChem CID 59923584) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide
PubChem CID59923584
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name(2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide
SMILESC[C@@](N)(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c1-17(21,9-11-2-4-12(10-20)5-3-11)16(23)22-15-7-13(18)6-14(19)8-15/h2-8H,9,21H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyFYEPWBBZNPYQJC-QGZVFWFLSA-N
XLogP3.76
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,5-dichlorophenyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 22575032
tert-butyl N-[2-[[(2R)-3-(4-cyanophenyl)-1-(3,5-dichloroanilino)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 101369140
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
4-[4-[(2S)-2-amino-2-methyl-3-oxopentyl]phenyl]benzonitrile
CID 70973343
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
2-amino-N-(3-cyanophenyl)-2-methylbutanamide
CID 79796861
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
[(2R)-3-(4-cyanophenyl)-1-(3,5-dichloro-4-fluoroanilino)-2-methyl-1-oxopropan-2-yl]azanium;(3Z)-2-methylpenta-1,3-diene
CID 143811970
2,2,2-trichloro-N-(3,5-dichlorophenyl)acetamide
CID 4278652
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
1-(2-chloro-5-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107653480
N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide?
The IUPAC name of (2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide (CID 59923584) is (2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide?
The canonical SMILES for (2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide is C[C@@](N)(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide?
The InChIKey is FYEPWBBZNPYQJC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-17(21,9-11-2-4-12(10-20)5-3-11)16(23)22-15-7-13(18)6-14(19)8-15/h2-8H,9,21H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide?
(2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide has a molecular weight of 348.23 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-cyanophenyl)-N-(3,5-dichlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 59923584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).