N-(4-bromo-3-cyclopropylphenyl)propanamide

C12H14BrNO — CID 68922613

IUPACN-(4-bromo-3-cyclopropylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(Br)c(C2CC2)c1
InChIInChI=1S/C12H14BrNO/c1-2-12(15)14-9-5-6-11(13)10(7-9)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyXIDZBKVNIBPSKG-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.67
Rot. Bonds3

About N-(4-bromo-3-cyclopropylphenyl)propanamide

N-(4-bromo-3-cyclopropylphenyl)propanamide (PubChem CID 68922613) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-(4-bromo-3-cyclopropylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-cyclopropylphenyl)propanamide
PubChem CID68922613
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-(4-bromo-3-cyclopropylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(Br)c(C2CC2)c1
InChIInChI=1S/C12H14BrNO/c1-2-12(15)14-9-5-6-11(13)10(7-9)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,15)
InChIKeyXIDZBKVNIBPSKG-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4316551
N-(3,4-difluorophenyl)propanamide
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N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459292
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide
CID 119047540
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
N-(3-amino-4-bromophenyl)butanamide
CID 79768270
N-(9-formyl-9H-fluoren-2-yl)propanamide
CID 89102901
N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
CID 43679054

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-cyclopropylphenyl)propanamide?
The IUPAC name of N-(4-bromo-3-cyclopropylphenyl)propanamide (CID 68922613) is N-(4-bromo-3-cyclopropylphenyl)propanamide.
What is the SMILES notation for N-(4-bromo-3-cyclopropylphenyl)propanamide?
The canonical SMILES for N-(4-bromo-3-cyclopropylphenyl)propanamide is CCC(=O)Nc1ccc(Br)c(C2CC2)c1.
What is the InChIKey of N-(4-bromo-3-cyclopropylphenyl)propanamide?
The InChIKey is XIDZBKVNIBPSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-2-12(15)14-9-5-6-11(13)10(7-9)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(4-bromo-3-cyclopropylphenyl)propanamide?
N-(4-bromo-3-cyclopropylphenyl)propanamide has a molecular weight of 268.15 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-cyclopropylphenyl)propanamide is sourced from PubChem (CID 68922613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).