5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide

C13H17ClN2O2 — CID 114755616

IUPAC5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCC2(CCO)CC2)c1
InChIInChI=1S/C13H17ClN2O2/c14-11-2-1-9(15)7-10(11)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8,15H2,(H,16,18)
InChIKeyAPYBPJOQLGLCKO-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.81
Rot. Bonds5

About 5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide

5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide (PubChem CID 114755616) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
PubChem CID114755616
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCC2(CCO)CC2)c1
InChIInChI=1S/C13H17ClN2O2/c14-11-2-1-9(15)7-10(11)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8,15H2,(H,16,18)
InChIKeyAPYBPJOQLGLCKO-UHFFFAOYSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755659
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 104957603
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114755595
2-(3,4-dichlorophenyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751097
3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751194
5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098995
5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
CID 114758312
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751793

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide (CID 114755616) is 5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide is Nc1ccc(Cl)c(C(=O)NCC2(CCO)CC2)c1.
What is the InChIKey of 5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
The InChIKey is APYBPJOQLGLCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-2-1-9(15)7-10(11)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8,15H2,(H,16,18).
What are the key properties of 5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide?
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 114755616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).