methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate

C16H15BrClNO2 — CID 66160749

IUPACmethyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1cc(Cl)ccc1Br)c1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-21-16(20)15(11-5-3-2-4-6-11)19-10-12-9-13(18)7-8-14(12)17/h2-9,15,19H,10H2,1H3
InChIKeyGSQPNSNRJNRJMH-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.11
Rot. Bonds5

About methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate

methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate (PubChem CID 66160749) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate
PubChem CID66160749
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Namemethyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1cc(Cl)ccc1Br)c1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-21-16(20)15(11-5-3-2-4-6-11)19-10-12-9-13(18)7-8-14(12)17/h2-9,15,19H,10H2,1H3
InChIKeyGSQPNSNRJNRJMH-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 66159883
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 66161042
methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate
CID 62474419
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
CID 78997392
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2-methylpropanoic acid
CID 62110684
2-[(2,4-dichlorophenyl)methylamino]-1,2-diphenylethanone
CID 134096147
methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-methylpropanoate
CID 66159734
methyl 2-(3-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 54894670

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate (CID 66160749) is methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate is COC(=O)C(NCc1cc(Cl)ccc1Br)c1ccccc1.
What is the InChIKey of methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate?
The InChIKey is GSQPNSNRJNRJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-21-16(20)15(11-5-3-2-4-6-11)19-10-12-9-13(18)7-8-14(12)17/h2-9,15,19H,10H2,1H3.
What are the key properties of methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate?
methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate has a molecular weight of 368.66 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate is sourced from PubChem (CID 66160749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).