N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide

C18H19BrN2O2 — CID 174825171

IUPACN-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide
SMILESCOc1ccc(CN(C(=O)C2CNC2)c2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-23-15-8-6-13(7-9-15)12-21(18(22)14-10-20-11-14)17-5-3-2-4-16(17)19/h2-9,14,20H,10-12H2,1H3
InChIKeyLEQRXTQCLMNNRA-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.21
Rot. Bonds5

About N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide

N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide (PubChem CID 174825171) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide
PubChem CID174825171
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide
SMILESCOc1ccc(CN(C(=O)C2CNC2)c2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-23-15-8-6-13(7-9-15)12-21(18(22)14-10-20-11-14)17-5-3-2-4-16(17)19/h2-9,14,20H,10-12H2,1H3
InChIKeyLEQRXTQCLMNNRA-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-bromophenyl)-[(4-methoxyphenyl)methyl]carbamoyl]azetidin-1-yl] 2,2-dimethylpropanoate
CID 174825169
N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methyl-5-(2-methylpropyl)pyrazole-3-carboxamide
CID 57446237
N-benzyl-N-(2-bromophenyl)-5-methoxyindole-1-carboxamide
CID 102348592
1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone
CID 114268991
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
tert-butyl 3-[(2-bromo-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate
CID 176901942
N-benzyl-N-(2-bromo-4-methoxyphenyl)-2-methylprop-2-enamide
CID 10338545
N-(azetidin-3-ylsulfanyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 170567610
(2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid
CID 143610345
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide
CID 162666509
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide (CID 174825171) is N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide is COc1ccc(CN(C(=O)C2CNC2)c2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide?
The InChIKey is LEQRXTQCLMNNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-23-15-8-6-13(7-9-15)12-21(18(22)14-10-20-11-14)17-5-3-2-4-16(17)19/h2-9,14,20H,10-12H2,1H3.
What are the key properties of N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide?
N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 174825171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).