2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide

C13H16BrFN2O — CID 60976730

IUPAC2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
SMILESO=C(CNCc1cc(Br)ccc1F)NCC1CC1
InChIInChI=1S/C13H16BrFN2O/c14-11-3-4-12(15)10(5-11)7-16-8-13(18)17-6-9-1-2-9/h3-5,9,16H,1-2,6-8H2,(H,17,18)
InChIKeyOOWYMEZFLKTGQH-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.20
Rot. Bonds6

About 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide

2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide (PubChem CID 60976730) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
PubChem CID60976730
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
SMILESO=C(CNCc1cc(Br)ccc1F)NCC1CC1
InChIInChI=1S/C13H16BrFN2O/c14-11-3-4-12(15)10(5-11)7-16-8-13(18)17-6-9-1-2-9/h3-5,9,16H,1-2,6-8H2,(H,17,18)
InChIKeyOOWYMEZFLKTGQH-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide 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

2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
CID 43214414
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide
CID 61300625
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)acetamide
CID 55848861
2-[[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]amino]-N-(cyclopropylmethyl)acetamide
CID 99626334
N-[(5-bromo-2-fluorophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131948
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 60791450
1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
CID 47176805
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 61230162
1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
CID 115260847
N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63875885

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide (CID 60976730) is 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide is O=C(CNCc1cc(Br)ccc1F)NCC1CC1.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is OOWYMEZFLKTGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c14-11-3-4-12(15)10(5-11)7-16-8-13(18)17-6-9-1-2-9/h3-5,9,16H,1-2,6-8H2,(H,17,18).
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide?
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 315.19 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 60976730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).