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

C12H15ClN2O2 — CID 115158872

IUPACN-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CNC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c1-17-10-3-2-8(11(13)4-10)7-15-12(16)9-5-14-6-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)
InChIKeyCVNVPNKEQOZQKK-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.18
Rot. Bonds4

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

N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide (PubChem CID 115158872) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
PubChem CID115158872
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CNC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c1-17-10-3-2-8(11(13)4-10)7-15-12(16)9-5-14-6-9/h2-4,9,14H,5-7H2,1H3,(H,15,16)
InChIKeyCVNVPNKEQOZQKK-UHFFFAOYSA-N
XLogP1.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 115167187
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110783290
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 94705337
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
(3S)-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998725
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide (CID 115158872) is N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide is COc1ccc(CNC(=O)C2CNC2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide?
The InChIKey is CVNVPNKEQOZQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-10-3-2-8(11(13)4-10)7-15-12(16)9-5-14-6-9/h2-4,9,14H,5-7H2,1H3,(H,15,16).
What are the key properties of N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide?
N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 115158872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).