2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide

C16H23BrN2O2 — CID 61165998

IUPAC2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide
SMILESCOCc1c(Br)cccc1NC(C)C(=O)NC1CCCC1
InChIInChI=1S/C16H23BrN2O2/c1-11(16(20)19-12-6-3-4-7-12)18-15-9-5-8-14(17)13(15)10-21-2/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3,(H,19,20)
InChIKeyVVYIYZQAXFPFHT-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.45
Rot. Bonds6

About 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide

2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide (PubChem CID 61165998) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide
PubChem CID61165998
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide
SMILESCOCc1c(Br)cccc1NC(C)C(=O)NC1CCCC1
InChIInChI=1S/C16H23BrN2O2/c1-11(16(20)19-12-6-3-4-7-12)18-15-9-5-8-14(17)13(15)10-21-2/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3,(H,19,20)
InChIKeyVVYIYZQAXFPFHT-UHFFFAOYSA-N
XLogP3.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide
CID 61168560
2-[3-bromo-2-(methoxymethyl)anilino]-N-prop-2-ynylpropanamide
CID 61168555
N-cyclopentyl-2-(2,3-difluoroanilino)propanamide
CID 61074672
methyl 2-[3-bromo-2-(methoxymethyl)anilino]butanoate
CID 113292588
N-cyclohexyl-2-(2-iodoanilino)propanamide
CID 43083874
3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline
CID 64624414
N-[3-bromo-2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64564041
(2R)-2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methylpentanamide
CID 104903215
N-[3-bromo-2-(methoxymethyl)phenyl]azepan-4-amine
CID 103981751
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide
CID 102853387

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide (CID 61165998) is 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide is COCc1c(Br)cccc1NC(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide?
The InChIKey is VVYIYZQAXFPFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-11(16(20)19-12-6-3-4-7-12)18-15-9-5-8-14(17)13(15)10-21-2/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide?
2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide has a molecular weight of 355.28 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide is sourced from PubChem (CID 61165998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).