N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide

C15H23ClN2O2 — CID 62014688

IUPACN-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
SMILESCCC(CC)N(CCO)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-3-14(4-2)18(8-9-19)11-15(20)17-13-7-5-6-12(16)10-13/h5-7,10,14,19H,3-4,8-9,11H2,1-2H3,(H,17,20)
InChIKeySKDYWPFDGFFBQK-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.76
Rot. Bonds8

About N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide

N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide (PubChem CID 62014688) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
PubChem CID62014688
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
SMILESCCC(CC)N(CCO)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2/c1-3-14(4-2)18(8-9-19)11-15(20)17-13-7-5-6-12(16)10-13/h5-7,10,14,19H,3-4,8-9,11H2,1-2H3,(H,17,20)
InChIKeySKDYWPFDGFFBQK-UHFFFAOYSA-N
XLogP2.76
TPSA52.57 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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881185
N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
CID 62015284
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692744
(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294392
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762
N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112461
1,1-bis[(2S)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 40636276
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 119049014
N-(3-chlorophenyl)-2-(N-ethyl-3-fluoroanilino)acetamide
CID 52686374

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide (CID 62014688) is N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide is CCC(CC)N(CCO)CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide?
The InChIKey is SKDYWPFDGFFBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-14(4-2)18(8-9-19)11-15(20)17-13-7-5-6-12(16)10-13/h5-7,10,14,19H,3-4,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide?
N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide has a molecular weight of 298.81 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide is sourced from PubChem (CID 62014688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).