3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide

C15H23ClN2O2 — CID 102669681

IUPAC3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide
SMILESCCC(CC)N(CCO)Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-3-13(4-2)18(7-8-19)10-12-6-5-11(15(17)20)9-14(12)16/h5-6,9,13,19H,3-4,7-8,10H2,1-2H3,(H2,17,20)
InChIKeyOJUSRDQBYQKKSO-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.42
Rot. Bonds8

About 3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide

3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide (PubChem CID 102669681) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide
PubChem CID102669681
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide
SMILESCCC(CC)N(CCO)Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-3-13(4-2)18(7-8-19)10-12-6-5-11(15(17)20)9-14(12)16/h5-6,9,13,19H,3-4,7-8,10H2,1-2H3,(H2,17,20)
InChIKeyOJUSRDQBYQKKSO-UHFFFAOYSA-N
XLogP2.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 102667847
3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 102669675
2-[(2,6-dichloro-3-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 106993642
3-chloro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 102664053
4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide
CID 102669347
4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide
CID 102668628
4-amino-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]phenol
CID 54994704
4-[[butan-2-yl(butyl)amino]methyl]-3-chlorobenzoic acid
CID 102669943
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3-chlorobenzoic acid
CID 102669914
3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 102664727
4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide
CID 62021395
3-amino-4-ethylbenzamide
CID 19977641

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide (CID 102669681) is 3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide is CCC(CC)N(CCO)Cc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide?
The InChIKey is OJUSRDQBYQKKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-13(4-2)18(7-8-19)10-12-6-5-11(15(17)20)9-14(12)16/h5-6,9,13,19H,3-4,7-8,10H2,1-2H3,(H2,17,20).
What are the key properties of 3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide?
3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide has a molecular weight of 298.81 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide is sourced from PubChem (CID 102669681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).