N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide

C18H18ClFN2O2 — CID 172894666

IUPACN-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(F)cc1-c1ccc(C(=O)NCC2CNC2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c1-24-17-5-3-13(20)7-15(17)12-2-4-14(16(19)6-12)18(23)22-10-11-8-21-9-11/h2-7,11,21H,8-10H2,1H3,(H,22,23)
InChIKeySHLSGNJZPQFYTQ-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.10
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide

N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide (PubChem CID 172894666) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide
PubChem CID172894666
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(F)cc1-c1ccc(C(=O)NCC2CNC2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c1-24-17-5-3-13(20)7-15(17)12-2-4-14(16(19)6-12)18(23)22-10-11-8-21-9-11/h2-7,11,21H,8-10H2,1H3,(H,22,23)
InChIKeySHLSGNJZPQFYTQ-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-fluoro-2-methoxybenzamide
CID 94020752
2-chloro-4-(5-fluoro-2-methoxyphenyl)-N-[(1R,5S)-3-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
CID 171684869
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
N-[3-[[(3aR,6aS)-1-[2-chloro-4-(5-fluoro-2-methoxyphenyl)benzoyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]amino]-3-oxopropyl]benzamide
CID 171684740
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
2-chloro-4-fluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549320
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
CID 134800977
5-fluoro-N-[(2-hydroxycyclopentyl)methyl]-2-methoxybenzamide
CID 111464236

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide (CID 172894666) is N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide is COc1ccc(F)cc1-c1ccc(C(=O)NCC2CNC2)c(Cl)c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide?
The InChIKey is SHLSGNJZPQFYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-24-17-5-3-13(20)7-15(17)12-2-4-14(16(19)6-12)18(23)22-10-11-8-21-9-11/h2-7,11,21H,8-10H2,1H3,(H,22,23).
What are the key properties of N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide?
N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide has a molecular weight of 348.81 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-chloro-4-(5-fluoro-2-methoxyphenyl)benzamide is sourced from PubChem (CID 172894666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).