N-[(3-bromo-4-fluorophenyl)methyl]propanamide

C10H11BrFNO — CID 91448069

IUPACN-[(3-bromo-4-fluorophenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO/c1-2-10(14)13-6-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyQCZMJIYBXJFNQT-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.61
Rot. Bonds3

About N-[(3-bromo-4-fluorophenyl)methyl]propanamide

N-[(3-bromo-4-fluorophenyl)methyl]propanamide (PubChem CID 91448069) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]propanamide
PubChem CID91448069
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO/c1-2-10(14)13-6-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyQCZMJIYBXJFNQT-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-bromo-4-fluorophenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-4-fluorophenyl)methylurea
CID 131036089
2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
CID 43398957
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide
CID 119507812
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43467343
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid
CID 119225524
2-(3-bromo-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 78905509
2-[(3-bromo-4-fluorophenyl)methylamino]ethylurea
CID 83111406
(2S,3S)-2-[(3-bromo-4-fluorophenyl)methylamino]-3-methylpentanoic acid
CID 120510431
2-[(3-bromo-4-fluorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 43106288

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]propanamide?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]propanamide (CID 91448069) is N-[(3-bromo-4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]propanamide?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]propanamide is CCC(=O)NCc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]propanamide?
The InChIKey is QCZMJIYBXJFNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-2-10(14)13-6-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]propanamide?
N-[(3-bromo-4-fluorophenyl)methyl]propanamide has a molecular weight of 260.11 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 91448069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).