4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide

C12H15ClN2O2 — CID 61112400

IUPAC4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCC2CCOC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-11-5-9(14)1-2-10(11)12(16)15-6-8-3-4-17-7-8/h1-2,5,8H,3-4,6-7,14H2,(H,15,16)
InChIKeyFNOMVMGQYVMIIG-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.69
Rot. Bonds3

About 4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide

4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 61112400) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
PubChem CID61112400
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCC2CCOC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-11-5-9(14)1-2-10(11)12(16)15-6-8-3-4-17-7-8/h1-2,5,8H,3-4,6-7,14H2,(H,15,16)
InChIKeyFNOMVMGQYVMIIG-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
CID 119724818
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride
CID 119715180
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
2-amino-3-chloro-5-nitro-N-(oxolan-3-ylmethyl)benzamide
CID 107200453
2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
CID 65387506
4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
CID 119854816
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
CID 119724858
4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
CID 165390196

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide (CID 61112400) is 4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide is Nc1ccc(C(=O)NCC2CCOC2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is FNOMVMGQYVMIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-5-9(14)1-2-10(11)12(16)15-6-8-3-4-17-7-8/h1-2,5,8H,3-4,6-7,14H2,(H,15,16).
What are the key properties of 4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide?
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 254.72 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 61112400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).