2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide

C16H17BrN2O2 — CID 95149839

IUPAC2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide
SMILESCOc1ccc([C@H](NCC(N)=O)c2ccccc2)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-21-14-8-7-12(9-13(14)17)16(19-10-15(18)20)11-5-3-2-4-6-11/h2-9,16,19H,10H2,1H3,(H2,18,20)/t16-/m1/s1
InChIKeyMNWDRLGSKNXDHF-MRXNPFEDSA-N
MW349.23 g/mol
LogP2.62
Rot. Bonds6

About 2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide

2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide (PubChem CID 95149839) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide
PubChem CID95149839
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide
SMILESCOc1ccc([C@H](NCC(N)=O)c2ccccc2)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-21-14-8-7-12(9-13(14)17)16(19-10-15(18)20)11-5-3-2-4-6-11/h2-9,16,19H,10H2,1H3,(H2,18,20)/t16-/m1/s1
InChIKeyMNWDRLGSKNXDHF-MRXNPFEDSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-bromo-4-methoxyphenyl)-phenylmethyl]pentanamide;hydrochloride
CID 119318972
4-benzhydryl-2-bromo-1-methoxybenzene
CID 12672614
5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide
CID 103529781
N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
CID 43493875
methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate
CID 62214467
(2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide
CID 95623687
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-carbamoyl-2-phenylacetamide
CID 9001607
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-phenylpropanamide;hydrochloride
CID 119694035
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 43493872
3-bromo-N-(2-bromo-2-phenylethyl)-4-methoxybenzamide
CID 114308336

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of 2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide (CID 95149839) is 2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for 2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for 2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide is COc1ccc([C@H](NCC(N)=O)c2ccccc2)cc1Br.
What is the InChIKey of 2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide?
The InChIKey is MNWDRLGSKNXDHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-14-8-7-12(9-13(14)17)16(19-10-15(18)20)11-5-3-2-4-6-11/h2-9,16,19H,10H2,1H3,(H2,18,20)/t16-/m1/s1.
What are the key properties of 2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide?
2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide has a molecular weight of 349.23 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(3-bromo-4-methoxyphenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 95149839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).