2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide

C17H19BrN2O — CID 81378691

IUPAC2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-12-7-9-14(10-8-12)20-17(21)11-19-13(2)15-5-3-4-6-16(15)18/h3-10,13,19H,11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyABTVEHFYMCULIX-CYBMUJFWSA-N
MW347.26 g/mol
LogP4.05
Rot. Bonds5

About 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide

2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 81378691) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID81378691
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN[C@H](C)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-12-7-9-14(10-8-12)20-17(21)11-19-13(2)15-5-3-4-6-16(15)18/h3-10,13,19H,11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyABTVEHFYMCULIX-CYBMUJFWSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 81378696
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 81378359
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42914150
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 27655078
1-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methylphenyl)thiourea
CID 8654833
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
N-(4-methylphenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406656
2-(2-bromophenyl)-2-hydroxy-N-(4-methylphenyl)acetamide
CID 141424634
2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214650
N-(4-methylphenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367523

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide (CID 81378691) is 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN[C@H](C)c2ccccc2Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is ABTVEHFYMCULIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12-7-9-14(10-8-12)20-17(21)11-19-13(2)15-5-3-4-6-16(15)18/h3-10,13,19H,11H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide?
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 347.26 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 81378691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).