(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide

C14H11BrClFN2O — CID 107611897

IUPAC(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide
SMILESN[C@H](C(=O)Nc1c(Cl)cc(F)cc1Br)c1ccccc1
InChIInChI=1S/C14H11BrClFN2O/c15-10-6-9(17)7-11(16)13(10)19-14(20)12(18)8-4-2-1-3-5-8/h1-7,12H,18H2,(H,19,20)/t12-/m0/s1
InChIKeyXVCJVKKFKICTJM-LBPRGKRZSA-N
MW357.61 g/mol
LogP3.88
Rot. Bonds3

About (2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide

(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide (PubChem CID 107611897) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide
PubChem CID107611897
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide
SMILESN[C@H](C(=O)Nc1c(Cl)cc(F)cc1Br)c1ccccc1
InChIInChI=1S/C14H11BrClFN2O/c15-10-6-9(17)7-11(16)13(10)19-14(20)12(18)8-4-2-1-3-5-8/h1-7,12H,18H2,(H,19,20)/t12-/m0/s1
InChIKeyXVCJVKKFKICTJM-LBPRGKRZSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-chloro-4-fluorophenyl)-2-phenylacetamide
CID 43150560
4-amino-5-(2-bromo-6-chloro-4-fluoroanilino)-5-oxopentanoic acid
CID 107611890
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107612455
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide
CID 62877990
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 107615200
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-2-phenylacetamide
CID 103794894
1-(2-bromo-6-chloro-4-fluorophenyl)-3-phenylthiourea
CID 107610827
2-amino-N-(3-chloro-2-fluorophenyl)-2-phenylacetamide
CID 43123024
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide
CID 83072762
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide (CID 107611897) is (2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide is N[C@H](C(=O)Nc1c(Cl)cc(F)cc1Br)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide?
The InChIKey is XVCJVKKFKICTJM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c15-10-6-9(17)7-11(16)13(10)19-14(20)12(18)8-4-2-1-3-5-8/h1-7,12H,18H2,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide?
(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide has a molecular weight of 357.61 g/mol, XLogP of 3.88, 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-6-chloro-4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 107611897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).