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

C11H14BrNO2 — CID 110780657

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(OC)c(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-3-11(14)13-7-8-4-5-10(15-2)9(12)6-8/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyVLPZXJRWQNPSJS-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.48
Rot. Bonds4

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

N-[(3-bromo-4-methoxyphenyl)methyl]propanamide (PubChem CID 110780657) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]propanamide
PubChem CID110780657
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(OC)c(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-3-11(14)13-7-8-4-5-10(15-2)9(12)6-8/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyVLPZXJRWQNPSJS-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-4-methoxyphenyl)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

N-[(3-bromo-4-methoxyphenyl)methyl]-3-chloropropanamide
CID 115162492
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]butanamide
CID 115154174
N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
CID 110783895
N-[(3-bromo-4-methoxyphenyl)methyl]benzamide
CID 72547442
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
1-amino-3-[(3-bromo-4-methoxyphenyl)methyl]thiourea
CID 13260652
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684722
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119767075
2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide
CID 112672945
2-[(3-bromo-4-methoxyphenyl)methylamino]butanedioic acid
CID 115144374
1-[(3-bromo-4-methoxyphenyl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111126552

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]propanamide (CID 110780657) is N-[(3-bromo-4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]propanamide is CCC(=O)NCc1ccc(OC)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]propanamide?
The InChIKey is VLPZXJRWQNPSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-11(14)13-7-8-4-5-10(15-2)9(12)6-8/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]propanamide?
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide has a molecular weight of 272.14 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 110780657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).