N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide

C16H19ClN2O3 — CID 172888768

IUPACN-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide
SMILESC=CC(=O)NC1CC(NC(=O)Cc2ccc(OC)cc2Cl)C1
InChIInChI=1S/C16H19ClN2O3/c1-3-15(20)18-11-7-12(8-11)19-16(21)6-10-4-5-13(22-2)9-14(10)17/h3-5,9,11-12H,1,6-8H2,2H3,(H,18,20)(H,19,21)
InChIKeyZQUIDZOJMAUWJY-UHFFFAOYSA-N
MW322.79 g/mol
LogP1.84
Rot. Bonds6

About N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide

N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide (PubChem CID 172888768) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide
PubChem CID172888768
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC NameN-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide
SMILESC=CC(=O)NC1CC(NC(=O)Cc2ccc(OC)cc2Cl)C1
InChIInChI=1S/C16H19ClN2O3/c1-3-15(20)18-11-7-12(8-11)19-16(21)6-10-4-5-13(22-2)9-14(10)17/h3-5,9,11-12H,1,6-8H2,2H3,(H,18,20)(H,19,21)
InChIKeyZQUIDZOJMAUWJY-UHFFFAOYSA-N
XLogP1.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
2-(2-chloro-4-methoxyphenyl)-N-(4-ethylcyclohexyl)acetamide
CID 69042089
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580
N-(4-acetamidophenyl)-2-(2-chloro-4-methoxyphenyl)acetamide
CID 110770008
N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 115167187
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 115158872
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 146089817
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2709356

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide?
The IUPAC name of N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide (CID 172888768) is N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide.
What is the SMILES notation for N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide?
The canonical SMILES for N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide is C=CC(=O)NC1CC(NC(=O)Cc2ccc(OC)cc2Cl)C1.
What is the InChIKey of N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide?
The InChIKey is ZQUIDZOJMAUWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-3-15(20)18-11-7-12(8-11)19-16(21)6-10-4-5-13(22-2)9-14(10)17/h3-5,9,11-12H,1,6-8H2,2H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide?
N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide has a molecular weight of 322.79 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-chloro-4-methoxyphenyl)acetyl]amino]cyclobutyl]prop-2-enamide is sourced from PubChem (CID 172888768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).