2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide

C16H19Cl2NO — CID 143467111

IUPAC2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide
SMILESO=C(NCC1(CC2CC2)CCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2NO/c17-12-4-5-13(14(18)8-12)15(20)19-10-16(6-1-7-16)9-11-2-3-11/h4-5,8,11H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyKHPRJVZYLXGJKB-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.69
Rot. Bonds5

About 2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide

2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide (PubChem CID 143467111) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide
PubChem CID143467111
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC Name2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide
SMILESO=C(NCC1(CC2CC2)CCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2NO/c17-12-4-5-13(14(18)8-12)15(20)19-10-16(6-1-7-16)9-11-2-3-11/h4-5,8,11H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyKHPRJVZYLXGJKB-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
CID 15951943
2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane
CID 143210765
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide
CID 59471582
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
CID 113294802
2-[1-[[(4-bromo-2-chlorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164709
2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
CID 114189535
2,4-dichloro-N-(2-cyclopentylsulfanylethyl)benzamide
CID 94101556
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide (CID 143467111) is 2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide is O=C(NCC1(CC2CC2)CCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide?
The InChIKey is KHPRJVZYLXGJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO/c17-12-4-5-13(14(18)8-12)15(20)19-10-16(6-1-7-16)9-11-2-3-11/h4-5,8,11H,1-3,6-7,9-10H2,(H,19,20).
What are the key properties of 2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide?
2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide has a molecular weight of 312.24 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide is sourced from PubChem (CID 143467111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).