2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide

C14H20BrFN2O — CID 54941727

IUPAC2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2O/c1-4-18(9-14(19)17-10(2)3)8-11-5-6-12(15)7-13(11)16/h5-7,10H,4,8-9H2,1-3H3,(H,17,19)
InChIKeyOLCNFMXWCBWDGZ-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.93
Rot. Bonds6

About 2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide

2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 54941727) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID54941727
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2O/c1-4-18(9-14(19)17-10(2)3)8-11-5-6-12(15)7-13(11)16/h5-7,10H,4,8-9H2,1-3H3,(H,17,19)
InChIKeyOLCNFMXWCBWDGZ-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-amino-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 64769835
2-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 47117609
N-(4-bromo-2-fluorophenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 2549434
3-bromo-4-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid
CID 102767285
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
2-[(4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 116528263
methyl 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetate
CID 60670448
2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 48935568
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
methyl 2-[(4-chloro-2-fluorophenyl)methyl-ethylamino]acetate
CID 114857988
4-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80727332
2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 79255705

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide (CID 54941727) is 2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is OLCNFMXWCBWDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-4-18(9-14(19)17-10(2)3)8-11-5-6-12(15)7-13(11)16/h5-7,10H,4,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide?
2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 331.23 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 54941727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).