3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide

C13H18Br2N2O — CID 60851334

IUPAC3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C13H18Br2N2O/c1-13(2,3)16-7-6-12(18)17-11-8-9(14)4-5-10(11)15/h4-5,8,16H,6-7H2,1-3H3,(H,17,18)
InChIKeyHLCNYHWHCUXJRZ-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.93
Rot. Bonds4

About 3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide

3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide (PubChem CID 60851334) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide
PubChem CID60851334
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C13H18Br2N2O/c1-13(2,3)16-7-6-12(18)17-11-8-9(14)4-5-10(11)15/h4-5,8,16H,6-7H2,1-3H3,(H,17,18)
InChIKeyHLCNYHWHCUXJRZ-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-fluorophenyl)-3-(tert-butylamino)propanamide
CID 60850786
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206
4-chloro-N-(2,5-dibromophenyl)butanamide
CID 63307782
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide
CID 82867959
N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide
CID 54928480
N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
CID 60842016
N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 39166512
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide
CID 81359603
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide (CID 60851334) is 3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide is CC(C)(C)NCCC(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of 3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide?
The InChIKey is HLCNYHWHCUXJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c1-13(2,3)16-7-6-12(18)17-11-8-9(14)4-5-10(11)15/h4-5,8,16H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide?
3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide has a molecular weight of 378.11 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide is sourced from PubChem (CID 60851334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).