3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide

C20H21ClN2O2 — CID 55920544

IUPAC3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C20H21ClN2O2/c1-23(13-14-5-2-6-15(11-14)18(22)24)19(25)20(9-4-10-20)16-7-3-8-17(21)12-16/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H2,22,24)
InChIKeyUTYPPEXRSRNUDA-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.52
Rot. Bonds5

About 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide

3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide (PubChem CID 55920544) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide
PubChem CID55920544
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C20H21ClN2O2/c1-23(13-14-5-2-6-15(11-14)18(22)24)19(25)20(9-4-10-20)16-7-3-8-17(21)12-16/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H2,22,24)
InChIKeyUTYPPEXRSRNUDA-UHFFFAOYSA-N
XLogP3.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide
CID 33097792
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 39466401
1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 112823691
N-(2-amino-2-oxoethyl)-N-[(3-chlorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 144888029
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 143002886
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-N-methylcyclobutane-1-carboxamide
CID 9168076
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657
3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 55783455
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 102867355

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide?
The IUPAC name of 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide (CID 55920544) is 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide?
The canonical SMILES for 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide is CN(Cc1cccc(C(N)=O)c1)C(=O)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide?
The InChIKey is UTYPPEXRSRNUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-23(13-14-5-2-6-15(11-14)18(22)24)19(25)20(9-4-10-20)16-7-3-8-17(21)12-16/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H2,22,24).
What are the key properties of 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide?
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide has a molecular weight of 356.85 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 55920544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).