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

C13H17ClN2O2 — CID 82726082

IUPACN-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
SMILESCC1OCCC1NCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-9-12(5-6-18-9)15-8-13(17)16-11-4-2-3-10(14)7-11/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyKVQKHBOJBQSBER-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.05
Rot. Bonds4

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

N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide (PubChem CID 82726082) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
PubChem CID82726082
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
SMILESCC1OCCC1NCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-9-12(5-6-18-9)15-8-13(17)16-11-4-2-3-10(14)7-11/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyKVQKHBOJBQSBER-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82725273
N-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82725585
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401773
N-(3-chlorophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetamide
CID 63298595
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
N-(3-chlorophenyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62092325
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
N-(3-chlorophenyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 103911908
N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60693961
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
CID 82726862

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide (CID 82726082) is N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide is CC1OCCC1NCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide?
The InChIKey is KVQKHBOJBQSBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-12(5-6-18-9)15-8-13(17)16-11-4-2-3-10(14)7-11/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide?
N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide has a molecular weight of 268.74 g/mol, XLogP of 2.05, 4 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-methyloxolan-3-yl)amino]acetamide is sourced from PubChem (CID 82726082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).