N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide

C12H16BrClN2O — CID 54925056

IUPACN-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O/c1-8(2)15-6-5-12(17)16-11-4-3-9(13)7-10(11)14/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyWHMYSSMEMMNHGG-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.43
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide

N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 54925056) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
PubChem CID54925056
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC NameN-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O/c1-8(2)15-6-5-12(17)16-11-4-3-9(13)7-10(11)14/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyWHMYSSMEMMNHGG-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332
N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852007
N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 53267799
2-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]amino]propanoic acid
CID 43466879
4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide
CID 26239604
N-(4-bromo-2-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 60850398
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
3-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60834103
N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191558
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403
N-(2-bromo-4-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 60852002

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide (CID 54925056) is N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is WHMYSSMEMMNHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-8(2)15-6-5-12(17)16-11-4-3-9(13)7-10(11)14/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide?
N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 319.63 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54925056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).