N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide

C14H19ClN2O3 — CID 106100732

IUPACN-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCC1(O)CCOC1
InChIInChI=1S/C14H19ClN2O3/c1-10-2-3-11(15)6-12(10)17-13(18)7-16-8-14(19)4-5-20-9-14/h2-3,6,16,19H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyNBGOVZCEQQMHDW-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.33
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide (PubChem CID 106100732) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide
PubChem CID106100732
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCC1(O)CCOC1
InChIInChI=1S/C14H19ClN2O3/c1-10-2-3-11(15)6-12(10)17-13(18)7-16-8-14(19)4-5-20-9-14/h2-3,6,16,19H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyNBGOVZCEQQMHDW-UHFFFAOYSA-N
XLogP1.33
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
CID 79352093
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
CID 65106525
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106129889
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 81178920

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide (CID 106100732) is N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNCC1(O)CCOC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide?
The InChIKey is NBGOVZCEQQMHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-10-2-3-11(15)6-12(10)17-13(18)7-16-8-14(19)4-5-20-9-14/h2-3,6,16,19H,4-5,7-9H2,1H3,(H,17,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide has a molecular weight of 298.77 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide is sourced from PubChem (CID 106100732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).