N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide

C12H13BrN2O2 — CID 172876253

IUPACN-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
SMILESO=C(Nc1cccc(Br)c1)N1CC2(COC2)C1
InChIInChI=1S/C12H13BrN2O2/c13-9-2-1-3-10(4-9)14-11(16)15-5-12(6-15)7-17-8-12/h1-4H,5-8H2,(H,14,16)
InChIKeyOWZRUQINVVKETQ-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.31
Rot. Bonds1

About N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide

N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 172876253) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
PubChem CID172876253
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
SMILESO=C(Nc1cccc(Br)c1)N1CC2(COC2)C1
InChIInChI=1S/C12H13BrN2O2/c13-9-2-1-3-10(4-9)14-11(16)15-5-12(6-15)7-17-8-12/h1-4H,5-8H2,(H,14,16)
InChIKeyOWZRUQINVVKETQ-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136091
3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide
CID 164946130
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147271
(3S,4S)-1-[(3-bromophenyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122073434
4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
CID 110637812
N-(3-bromophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 108986017
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 1120968
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 3570763
(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99606652
N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 23991152
N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184534

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide (CID 172876253) is N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide is O=C(Nc1cccc(Br)c1)N1CC2(COC2)C1.
What is the InChIKey of N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is OWZRUQINVVKETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-9-2-1-3-10(4-9)14-11(16)15-5-12(6-15)7-17-8-12/h1-4H,5-8H2,(H,14,16).
What are the key properties of N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide?
N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 172876253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).