N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide

C14H21BrN2O2 — CID 62518350

IUPACN-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide
SMILESCCC(CC)(CO)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-3-14(4-2,10-18)16-9-13(19)17-12-8-6-5-7-11(12)15/h5-8,16,18H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyXEZXPNFOHFXLIL-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.53
Rot. Bonds7

About N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide

N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide (PubChem CID 62518350) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide
PubChem CID62518350
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide
SMILESCCC(CC)(CO)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H21BrN2O2/c1-3-14(4-2,10-18)16-9-13(19)17-12-8-6-5-7-11(12)15/h5-8,16,18H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeyXEZXPNFOHFXLIL-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-2-ethylbutan-1-ol
CID 61050046
2-(3-ethylpentan-3-ylamino)-N-(2-fluorophenyl)acetamide
CID 65039803
N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
CID 107865329
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
N-(2-bromophenyl)butanamide
CID 732405
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
CID 109008293
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
2-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-(2-methylphenyl)acetamide
CID 64550174
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide (CID 62518350) is N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide is CCC(CC)(CO)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide?
The InChIKey is XEZXPNFOHFXLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-14(4-2,10-18)16-9-13(19)17-12-8-6-5-7-11(12)15/h5-8,16,18H,3-4,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide?
N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[3-(hydroxymethyl)pentan-3-ylamino]acetamide is sourced from PubChem (CID 62518350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).