N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide

C13H19BrN2O3 — CID 107865329

IUPACN-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
SMILESCCC(CO)(CO)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O3/c1-2-13(8-17,9-18)15-7-12(19)16-11-5-3-4-10(14)6-11/h3-6,15,17-18H,2,7-9H2,1H3,(H,16,19)
InChIKeyRPQSXLHVNGESQN-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.11
Rot. Bonds7

About N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide

N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide (PubChem CID 107865329) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
PubChem CID107865329
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC NameN-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide
SMILESCCC(CO)(CO)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O3/c1-2-13(8-17,9-18)15-7-12(19)16-11-5-3-4-10(14)6-11/h3-6,15,17-18H,2,7-9H2,1H3,(H,16,19)
InChIKeyRPQSXLHVNGESQN-UHFFFAOYSA-N
XLogP1.11
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetamide
CID 106175410
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N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
2-(3-ethylpentan-3-ylamino)-N-(3-methoxyphenyl)acetamide
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N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide
CID 107852682
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 43389800
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide (CID 107865329) is N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide is CCC(CO)(CO)NCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide?
The InChIKey is RPQSXLHVNGESQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-2-13(8-17,9-18)15-7-12(19)16-11-5-3-4-10(14)6-11/h3-6,15,17-18H,2,7-9H2,1H3,(H,16,19).
What are the key properties of N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide?
N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide has a molecular weight of 331.21 g/mol, XLogP of 1.11, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetamide is sourced from PubChem (CID 107865329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).