3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide

C15H16BrNO2 — CID 157254948

IUPAC3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(=O)C12CC(C(=O)NCc3cccc(Br)c3)(C1)C2
InChIInChI=1S/C15H16BrNO2/c1-10(18)14-7-15(8-14,9-14)13(19)17-6-11-3-2-4-12(16)5-11/h2-5H,6-9H2,1H3,(H,17,19)
InChIKeyXZIYECNOHYYXAX-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.82
Rot. Bonds4

About 3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide

3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 157254948) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID157254948
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(=O)C12CC(C(=O)NCc3cccc(Br)c3)(C1)C2
InChIInChI=1S/C15H16BrNO2/c1-10(18)14-7-15(8-14,9-14)13(19)17-6-11-3-2-4-12(16)5-11/h2-5H,6-9H2,1H3,(H,17,19)
InChIKeyXZIYECNOHYYXAX-UHFFFAOYSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 104985996
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CID 115184081
N-[(3-bromophenyl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 166513730
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790
1-(aminomethyl)-N-[(3-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
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4-acetyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898818
N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64767366
2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
CID 16781261
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide
CID 64678020
(Z)-N-[(3-bromophenyl)methyl]-2-methylpent-2-enamide
CID 60553199
1-[(3-bromophenyl)methyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884600

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 157254948) is 3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide is CC(=O)C12CC(C(=O)NCc3cccc(Br)c3)(C1)C2.
What is the InChIKey of 3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is XZIYECNOHYYXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10(18)14-7-15(8-14,9-14)13(19)17-6-11-3-2-4-12(16)5-11/h2-5H,6-9H2,1H3,(H,17,19).
What are the key properties of 3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 157254948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).