N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

C14H16BrClN2O — CID 47447532

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1Cl)N1CC2CCC1C2
InChIInChI=1S/C14H16BrClN2O/c15-11-3-2-10(13(16)6-11)7-17-14(19)18-8-9-1-4-12(18)5-9/h2-3,6,9,12H,1,4-5,7-8H2,(H,17,19)
InChIKeyFVDMGFFLPFJCGV-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.80
Rot. Bonds2

About N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 47447532) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID47447532
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1Cl)N1CC2CCC1C2
InChIInChI=1S/C14H16BrClN2O/c15-11-3-2-10(13(16)6-11)7-17-14(19)18-8-9-1-4-12(18)5-9/h2-3,6,9,12H,1,4-5,7-8H2,(H,17,19)
InChIKeyFVDMGFFLPFJCGV-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5S)-3-acetyl-N-[(2,4-dichlorophenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 133127043
2-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976837
4-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674132
3-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclohexane-1-carboxamide
CID 119753669
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71972558
N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115598225
1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110908184
(1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 98161909
N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119753670
1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306102

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 47447532) is N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1ccc(Br)cc1Cl)N1CC2CCC1C2.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is FVDMGFFLPFJCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c15-11-3-2-10(13(16)6-11)7-17-14(19)18-8-9-1-4-12(18)5-9/h2-3,6,9,12H,1,4-5,7-8H2,(H,17,19).
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 343.65 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 47447532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).