N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide

C17H19BrN2O — CID 81378591

IUPACN-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-13(15-9-5-6-10-16(15)18)19-12-17(21)20-11-14-7-3-2-4-8-14/h2-10,13,19H,11-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyRAWLNGSDBOIKDA-ZDUSSCGKSA-N
MW347.26 g/mol
LogP3.42
Rot. Bonds6

About N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide

N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide (PubChem CID 81378591) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
PubChem CID81378591
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-13(15-9-5-6-10-16(15)18)19-12-17(21)20-11-14-7-3-2-4-8-14/h2-10,13,19H,11-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyRAWLNGSDBOIKDA-ZDUSSCGKSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
N-benzyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917782
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 27655078
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 81378691
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902
2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214650
2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
CID 43545529
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-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367300
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide
CID 9397422

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide (CID 81378591) is N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)NCc1ccccc1)c1ccccc1Br.
What is the InChIKey of N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide?
The InChIKey is RAWLNGSDBOIKDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-13(15-9-5-6-10-16(15)18)19-12-17(21)20-11-14-7-3-2-4-8-14/h2-10,13,19H,11-12H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide?
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide has a molecular weight of 347.26 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 81378591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).