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

C14H19ClN2O2 — CID 112575684

IUPAC3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H19ClN2O2/c1-2-17(8-10-6-7-19-9-10)14(18)11-4-3-5-12(16)13(11)15/h3-5,10H,2,6-9,16H2,1H3
InChIKeyYESWVJSMPDPIIP-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.42
Rot. Bonds4

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

3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 112575684) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID112575684
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H19ClN2O2/c1-2-17(8-10-6-7-19-9-10)14(18)11-4-3-5-12(16)13(11)15/h3-5,10H,2,6-9,16H2,1H3
InChIKeyYESWVJSMPDPIIP-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
CID 112574718
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252
3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 61051779
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 115540392
3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
2-chloro-N-ethyl-3-nitro-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 64868737
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 97239773

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide (CID 112575684) is 3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide is CCN(CC1CCOC1)C(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is YESWVJSMPDPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-17(8-10-6-7-19-9-10)14(18)11-4-3-5-12(16)13(11)15/h3-5,10H,2,6-9,16H2,1H3.
What are the key properties of 3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide?
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 112575684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).