(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide

C12H16Cl2N2O — CID 42314535

IUPAC(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-7(2)11(15)12(17)16-10-5-8(13)4-9(14)6-10/h4-7,11H,3,15H2,1-2H3,(H,16,17)/t7-,11-/m0/s1
InChIKeyOUJWYIQAUMAITL-CPCISQLKSA-N
MW275.18 g/mol
LogP3.31
Rot. Bonds4

About (2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide

(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide (PubChem CID 42314535) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
PubChem CID42314535
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-7(2)11(15)12(17)16-10-5-8(13)4-9(14)6-10/h4-7,11H,3,15H2,1-2H3,(H,16,17)/t7-,11-/m0/s1
InChIKeyOUJWYIQAUMAITL-CPCISQLKSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-chlorobenzoic acid
CID 61399074
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
CID 119673993

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide (CID 42314535) is (2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide?
The InChIKey is OUJWYIQAUMAITL-CPCISQLKSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-3-7(2)11(15)12(17)16-10-5-8(13)4-9(14)6-10/h4-7,11H,3,15H2,1-2H3,(H,16,17)/t7-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide has a molecular weight of 275.18 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide is sourced from PubChem (CID 42314535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).