N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide

C18H19ClN2O2 — CID 166245286

IUPACN-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CC(C)(c2ccccc2)C1
InChIInChI=1S/C18H19ClN2O2/c1-18(13-6-4-3-5-7-13)11-21(12-18)17(22)20-15-10-14(19)8-9-16(15)23-2/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeySRLVYXNMMBFSCF-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.15
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide (PubChem CID 166245286) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide
PubChem CID166245286
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CC(C)(c2ccccc2)C1
InChIInChI=1S/C18H19ClN2O2/c1-18(13-6-4-3-5-7-13)11-21(12-18)17(22)20-15-10-14(19)8-9-16(15)23-2/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeySRLVYXNMMBFSCF-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 118768284
N-(5-chloro-2-methoxyphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 121191199
N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 56741860
N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505566
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065335

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide (CID 166245286) is N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CC(C)(c2ccccc2)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide?
The InChIKey is SRLVYXNMMBFSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-18(13-6-4-3-5-7-13)11-21(12-18)17(22)20-15-10-14(19)8-9-16(15)23-2/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide is sourced from PubChem (CID 166245286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).