N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide

C12H15ClN2O2 — CID 63331642

IUPACN-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCOC2)cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8(16)14-12-3-2-9(6-11(12)13)15-10-4-5-17-7-10/h2-3,6,10,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyNOGHAFVOMRGRCW-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.50
Rot. Bonds3

About N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide

N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide (PubChem CID 63331642) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
PubChem CID63331642
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCOC2)cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8(16)14-12-3-2-9(6-11(12)13)15-10-4-5-17-7-10/h2-3,6,10,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyNOGHAFVOMRGRCW-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide
CID 43690243
N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
CID 79723981
2-chloro-4-(oxolan-3-ylamino)benzoic acid
CID 80715849
N-[2-chloro-4-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
CID 64596038
2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
CID 63335405
2-chloro-1-N,1-N-dimethyl-4-N-(oxolan-3-yl)benzene-1,4-diamine
CID 63335531
1-[2-amino-5-(oxolan-3-ylamino)phenyl]ethanone
CID 104613018
N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide
CID 63335794
N-[2-chloro-4-(1-cyclopropylethylamino)phenyl]acetamide
CID 43690232
N-[2-chloro-4-[(5,5-dimethylthian-3-yl)amino]phenyl]acetamide
CID 79955537
2-methyl-4-(oxolan-3-ylamino)benzoic acid
CID 81281891
2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide
CID 55200964

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide (CID 63331642) is N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide is CC(=O)Nc1ccc(NC2CCOC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide?
The InChIKey is NOGHAFVOMRGRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8(16)14-12-3-2-9(6-11(12)13)15-10-4-5-17-7-10/h2-3,6,10,15H,4-5,7H2,1H3,(H,14,16).
What are the key properties of N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide?
N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide has a molecular weight of 254.72 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide is sourced from PubChem (CID 63331642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).