N-[1-(4-bromophenyl)propyl]formamide

C10H12BrNO — CID 64990442

IUPACN-[1-(4-bromophenyl)propyl]formamide
SMILESCCC(NC=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c1-2-10(12-7-13)8-3-5-9(11)6-4-8/h3-7,10H,2H2,1H3,(H,12,13)
InChIKeyLBYVBRLIALHIJU-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.65
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]formamide

N-[1-(4-bromophenyl)propyl]formamide (PubChem CID 64990442) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]formamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]formamide
PubChem CID64990442
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-[1-(4-bromophenyl)propyl]formamide
SMILESCCC(NC=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c1-2-10(12-7-13)8-3-5-9(11)6-4-8/h3-7,10H,2H2,1H3,(H,12,13)
InChIKeyLBYVBRLIALHIJU-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)propyl]-3-methylpentan-2-amine
CID 43692297
1-(4-bromophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-1-amine
CID 115889897
N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 113457747
2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide
CID 43425684
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174
(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-methylpropanamide
CID 8643427
methyl 2-[1-(4-bromophenyl)propylamino]butanoate
CID 115352622
1-(4-bromophenyl)-N-ethoxypropan-1-amine
CID 80712261
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]formamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]formamide (CID 64990442) is N-[1-(4-bromophenyl)propyl]formamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]formamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]formamide is CCC(NC=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]formamide?
The InChIKey is LBYVBRLIALHIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-2-10(12-7-13)8-3-5-9(11)6-4-8/h3-7,10H,2H2,1H3,(H,12,13).
What are the key properties of N-[1-(4-bromophenyl)propyl]formamide?
N-[1-(4-bromophenyl)propyl]formamide has a molecular weight of 242.12 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]formamide is sourced from PubChem (CID 64990442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).