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

C19H19ClN2O2 — CID 33097792

IUPAC3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)c1
InChIInChI=1S/C19H19ClN2O2/c20-16-7-2-6-15(11-16)19(8-3-9-19)18(24)22-12-13-4-1-5-14(10-13)17(21)23/h1-2,4-7,10-11H,3,8-9,12H2,(H2,21,23)(H,22,24)
InChIKeyHRDNOWILEBYLOP-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.18
Rot. Bonds5

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

3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide (PubChem CID 33097792) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide
PubChem CID33097792
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)c1
InChIInChI=1S/C19H19ClN2O2/c20-16-7-2-6-15(11-16)19(8-3-9-19)18(24)22-12-13-4-1-5-14(10-13)17(21)23/h1-2,4-7,10-11H,3,8-9,12H2,(H2,21,23)(H,22,24)
InChIKeyHRDNOWILEBYLOP-UHFFFAOYSA-N
XLogP3.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide
CID 55920544
1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 115913331
1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 55714590
1-(3-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 55677645
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
1-(3-chlorophenyl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 55972909
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
CID 43355005
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide (CID 33097792) is 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide is NC(=O)c1cccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)c1.
What is the InChIKey of 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide?
The InChIKey is HRDNOWILEBYLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-7-2-6-15(11-16)19(8-3-9-19)18(24)22-12-13-4-1-5-14(10-13)17(21)23/h1-2,4-7,10-11H,3,8-9,12H2,(H2,21,23)(H,22,24).
What are the key properties of 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide?
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide is sourced from PubChem (CID 33097792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).