2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide

C14H19BrN2O2 — CID 63099192

IUPAC2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide
SMILESO=C(CNCc1ccc(Br)cc1)NC1CCOCC1
InChIInChI=1S/C14H19BrN2O2/c15-12-3-1-11(2-4-12)9-16-10-14(18)17-13-5-7-19-8-6-13/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeyNCTZYJKGZGKQKI-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.83
Rot. Bonds5

About 2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide

2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide (PubChem CID 63099192) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide
PubChem CID63099192
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide
SMILESO=C(CNCc1ccc(Br)cc1)NC1CCOCC1
InChIInChI=1S/C14H19BrN2O2/c15-12-3-1-11(2-4-12)9-16-10-14(18)17-13-5-7-19-8-6-13/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeyNCTZYJKGZGKQKI-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
CID 175666639
2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63100231
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63097814
N-cyclopropyl-2-[(4-iodophenyl)methylamino]acetamide
CID 65477363
2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide
CID 103581537
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
N-(oxan-4-yl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81178209
2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide
CID 106010838
2-[(3-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63098869
N-cyclopropyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
CID 43401901
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide (CID 63099192) is 2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide is O=C(CNCc1ccc(Br)cc1)NC1CCOCC1.
What is the InChIKey of 2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is NCTZYJKGZGKQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-3-1-11(2-4-12)9-16-10-14(18)17-13-5-7-19-8-6-13/h1-4,13,16H,5-10H2,(H,17,18).
What are the key properties of 2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide?
2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 327.22 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63099192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).