2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C12H15ClN2O2 — CID 28690163

IUPAC2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESNc1cc(Cl)ccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C12H15ClN2O2/c13-8-3-4-10(11(14)6-8)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7,14H2,(H,15,16)/t9-/m1/s1
InChIKeyQFGZESFDEWUAQR-SECBINFHSA-N
MW254.72 g/mol
LogP1.83
Rot. Bonds3

About 2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 28690163) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID28690163
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESNc1cc(Cl)ccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C12H15ClN2O2/c13-8-3-4-10(11(14)6-8)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7,14H2,(H,15,16)/t9-/m1/s1
InChIKeyQFGZESFDEWUAQR-SECBINFHSA-N
XLogP1.83
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 ≤ 51.83
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

5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
4-chloro-2-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 789164
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34751134
6-chloro-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 862279
5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931
5-chloro-2-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 17297293
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
7-chloro-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-3-carboxamide
CID 31883572
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 28690163) is 2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide is Nc1cc(Cl)ccc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is QFGZESFDEWUAQR-SECBINFHSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-8-3-4-10(11(14)6-8)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7,14H2,(H,15,16)/t9-/m1/s1.
What are the key properties of 2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 254.72 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 28690163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).