(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide

C11H14BrClN2O — CID 104723589

IUPAC(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C11H14BrClN2O/c1-3-9(14)11(16)15-10-5-8(13)6(2)4-7(10)12/h4-5,9H,3,14H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyFAPFKSVNDJKBRX-VIFPVBQESA-N
MW305.60 g/mol
LogP3.09
Rot. Bonds3

About (2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide

(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide (PubChem CID 104723589) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
PubChem CID104723589
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C11H14BrClN2O/c1-3-9(14)11(16)15-10-5-8(13)6(2)4-7(10)12/h4-5,9H,3,14H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyFAPFKSVNDJKBRX-VIFPVBQESA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723691
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104903984
N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
CID 113445559
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)butanamide
CID 104815291
3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104723649
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)butanamide
CID 43702364
3-(2-bromo-5-chloro-4-methylphenyl)-1,1-diethylurea
CID 104724253
methyl 2-(2-bromo-5-chloro-4-methylanilino)butanoate
CID 113445425
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
CID 104724802
3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea
CID 104724220

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide (CID 104723589) is (2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide is CC[C@H](N)C(=O)Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of (2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide?
The InChIKey is FAPFKSVNDJKBRX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-3-9(14)11(16)15-10-5-8(13)6(2)4-7(10)12/h4-5,9H,3,14H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide?
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide has a molecular weight of 305.60 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide is sourced from PubChem (CID 104723589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).