N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide

C14H21BrN2O — CID 119106516

IUPACN-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide
SMILESCCC(CC)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-3-12(4-2)16-10-9-14(18)17-13-7-5-11(15)6-8-13/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyOWKFMADGYJOOSC-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.56
Rot. Bonds7

About N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide

N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide (PubChem CID 119106516) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide
PubChem CID119106516
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide
SMILESCCC(CC)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-3-12(4-2)16-10-9-14(18)17-13-7-5-11(15)6-8-13/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyOWKFMADGYJOOSC-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040
N-(4-bromophenyl)-3-methylsulfanylpropanamide
CID 43082407
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119739143
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide
CID 109013160
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
CID 119739150
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide (CID 119106516) is N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide is CCC(CC)NCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide?
The InChIKey is OWKFMADGYJOOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-12(4-2)16-10-9-14(18)17-13-7-5-11(15)6-8-13/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide?
N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide has a molecular weight of 313.24 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide is sourced from PubChem (CID 119106516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).