3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide

C14H19ClN2O — CID 102665133

IUPAC3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide
SMILESCC(NCc1ccc(C(N)=O)cc1Cl)C1CCC1
InChIInChI=1S/C14H19ClN2O/c1-9(10-3-2-4-10)17-8-12-6-5-11(14(16)18)7-13(12)15/h5-7,9-10,17H,2-4,8H2,1H3,(H2,16,18)
InChIKeyWTIPQHSOPKLJLT-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.72
Rot. Bonds5

About 3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide

3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide (PubChem CID 102665133) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide
PubChem CID102665133
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide
SMILESCC(NCc1ccc(C(N)=O)cc1Cl)C1CCC1
InChIInChI=1S/C14H19ClN2O/c1-9(10-3-2-4-10)17-8-12-6-5-11(14(16)18)7-13(12)15/h5-7,9-10,17H,2-4,8H2,1H3,(H2,16,18)
InChIKeyWTIPQHSOPKLJLT-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 102664727
4-[(but-3-en-2-ylamino)methyl]-3-chlorobenzamide
CID 102665091
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132
3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 102664284
3-chloro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 102664053
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-cyclohexylethanamine
CID 104862320
3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide
CID 102664438
3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide
CID 102664681
3-chloro-4-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 102665012
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 106133041
3-[[[(1R)-1-cyclopentylethyl]amino]methyl]-4-fluorobenzoic acid
CID 107453171

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide (CID 102665133) is 3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide is CC(NCc1ccc(C(N)=O)cc1Cl)C1CCC1.
What is the InChIKey of 3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide?
The InChIKey is WTIPQHSOPKLJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(10-3-2-4-10)17-8-12-6-5-11(14(16)18)7-13(12)15/h5-7,9-10,17H,2-4,8H2,1H3,(H2,16,18).
What are the key properties of 3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide?
3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide has a molecular weight of 266.77 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide is sourced from PubChem (CID 102665133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).