N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide

C13H19BrN2O2 — CID 120504701

IUPACN-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(Br)ccc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C13H19BrN2O2/c1-8(2)18-12-6-10(14)4-5-11(12)13(17)16-9(3)7-15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyAVOWABKKQXFUOB-VIFPVBQESA-N
MW315.21 g/mol
LogP2.31
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide

N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide (PubChem CID 120504701) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide
PubChem CID120504701
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(Br)ccc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C13H19BrN2O2/c1-8(2)18-12-6-10(14)4-5-11(12)13(17)16-9(3)7-15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyAVOWABKKQXFUOB-VIFPVBQESA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride
CID 120507967
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
4-bromo-N-(3-hydroxybutyl)-2-propan-2-yloxybenzamide
CID 111433738
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide
CID 78956600
4-bromo-2-methoxy-N-pent-4-en-2-ylbenzamide
CID 115631363
5-[(4-bromo-2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119234529
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide
CID 60579665
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide
CID 98541747
2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
4-bromo-2-(difluoromethoxy)-N-methylbenzamide
CID 170995658

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide (CID 120504701) is N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide is CC(C)Oc1cc(Br)ccc1C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide?
The InChIKey is AVOWABKKQXFUOB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-8(2)18-12-6-10(14)4-5-11(12)13(17)16-9(3)7-15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide?
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide has a molecular weight of 315.21 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide is sourced from PubChem (CID 120504701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).