(2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide

C15H15BrN2O2 — CID 95623687

IUPAC(2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide
SMILESCOc1ccc(N[C@H](C(N)=O)c2ccccc2)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-20-13-8-7-11(9-12(13)16)18-14(15(17)19)10-5-3-2-4-6-10/h2-9,14,18H,1H3,(H2,17,19)/t14-/m0/s1
InChIKeyHKZWHHVNZRGTIO-AWEZNQCLSA-N
MW335.20 g/mol
LogP3.10
Rot. Bonds5

About (2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide

(2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide (PubChem CID 95623687) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is (2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide
PubChem CID95623687
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name(2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide
SMILESCOc1ccc(N[C@H](C(N)=O)c2ccccc2)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-20-13-8-7-11(9-12(13)16)18-14(15(17)19)10-5-3-2-4-6-10/h2-9,14,18H,1H3,(H2,17,19)/t14-/m0/s1
InChIKeyHKZWHHVNZRGTIO-AWEZNQCLSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-anilino-2-(3,4-dimethoxyphenyl)acetamide
CID 61005050
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
2-anilino-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026961
2-anilino-2-phenylacetamide;ethane
CID 142824395
2-(4-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62131360
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317
2-(3-fluoro-4-methylanilino)-2-phenylacetamide
CID 47137894
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-carbamoyl-2-phenylacetamide
CID 9001607
2-(3-bromophenyl)-2-(2-methoxyanilino)acetamide
CID 60995761
2-(2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 61005080
2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide
CID 95149839

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide?
The IUPAC name of (2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide (CID 95623687) is (2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide is COc1ccc(N[C@H](C(N)=O)c2ccccc2)cc1Br.
What is the InChIKey of (2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide?
The InChIKey is HKZWHHVNZRGTIO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-13-8-7-11(9-12(13)16)18-14(15(17)19)10-5-3-2-4-6-10/h2-9,14,18H,1H3,(H2,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide?
(2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide has a molecular weight of 335.20 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide is sourced from PubChem (CID 95623687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).