1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide

C20H21ClN2O2 — CID 36545531

IUPAC1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-22-18(24)12-14-6-8-17(9-7-14)23-19(25)20(10-3-11-20)15-4-2-5-16(21)13-15/h2,4-9,13H,3,10-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyLZJHQQUIYFNNKU-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.69
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide (PubChem CID 36545531) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
PubChem CID36545531
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
SMILESCNC(=O)Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-22-18(24)12-14-6-8-17(9-7-14)23-19(25)20(10-3-11-20)15-4-2-5-16(21)13-15/h2,4-9,13H,3,10-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyLZJHQQUIYFNNKU-UHFFFAOYSA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
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4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
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CID 110439128
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 39466401
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
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1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide
CID 134047590
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
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CID 139002279

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide (CID 36545531) is 1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide is CNC(=O)Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide?
The InChIKey is LZJHQQUIYFNNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-22-18(24)12-14-6-8-17(9-7-14)23-19(25)20(10-3-11-20)15-4-2-5-16(21)13-15/h2,4-9,13H,3,10-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 36545531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).