N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide

C15H16BrN3O — CID 81401760

IUPACN-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C15H16BrN3O/c1-11(14-4-2-3-9-17-14)18-10-15(20)19-13-7-5-12(16)6-8-13/h2-9,11,18H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyLSZVTVZGWGECHW-NSHDSACASA-N
MW334.22 g/mol
LogP3.13
Rot. Bonds5

About N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide

N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide (PubChem CID 81401760) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
PubChem CID81401760
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C15H16BrN3O/c1-11(14-4-2-3-9-17-14)18-10-15(20)19-13-7-5-12(16)6-8-13/h2-9,11,18H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyLSZVTVZGWGECHW-NSHDSACASA-N
XLogP3.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406656
N-(4-methoxyphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81393069
N-(3-chlorophenyl)-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396868
N-(3-fluorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81407084
N-(2-methylphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401913
N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide
CID 119106523
N-(2-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406571
N-(2-methylpropyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406744
N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83176951

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide (CID 81401760) is N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide is C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide?
The InChIKey is LSZVTVZGWGECHW-NSHDSACASA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-11(14-4-2-3-9-17-14)18-10-15(20)19-13-7-5-12(16)6-8-13/h2-9,11,18H,10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide?
N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide has a molecular weight of 334.22 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide is sourced from PubChem (CID 81401760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).