N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide

C14H19ClN2O3 — CID 146106391

IUPACN-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide
SMILESCCOc1ccc(CNC(=O)N2CCC2CO)cc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-2-20-13-4-3-10(7-12(13)15)8-16-14(19)17-6-5-11(17)9-18/h3-4,7,11,18H,2,5-6,8-9H2,1H3,(H,16,19)
InChIKeyYZDHGGAELRCUOW-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.01
Rot. Bonds5

About N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide (PubChem CID 146106391) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide
PubChem CID146106391
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide
SMILESCCOc1ccc(CNC(=O)N2CCC2CO)cc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-2-20-13-4-3-10(7-12(13)15)8-16-14(19)17-6-5-11(17)9-18/h3-4,7,11,18H,2,5-6,8-9H2,1H3,(H,16,19)
InChIKeyYZDHGGAELRCUOW-UHFFFAOYSA-N
XLogP2.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
CID 115139828
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-cyanoformamide
CID 115172175
3-amino-N-[(3-chloro-4-ethoxyphenyl)methyl]propanamide
CID 98784594
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110782051
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428297
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 136565162
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909640
4-[(3-chloro-4-ethoxyphenyl)methylamino]butanoic acid
CID 102536590
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide?
The IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide (CID 146106391) is N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide?
The canonical SMILES for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide is CCOc1ccc(CNC(=O)N2CCC2CO)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide?
The InChIKey is YZDHGGAELRCUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-2-20-13-4-3-10(7-12(13)15)8-16-14(19)17-6-5-11(17)9-18/h3-4,7,11,18H,2,5-6,8-9H2,1H3,(H,16,19).
What are the key properties of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide?
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-(hydroxymethyl)azetidine-1-carboxamide is sourced from PubChem (CID 146106391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).