N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide

C13H17ClN2O — CID 115267700

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide
SMILESCN(CC1(CN)CC1)C(=O)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-16(9-13(8-15)6-7-13)12(17)10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3
InChIKeyAWYCHESHJMIQJF-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.15
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide (PubChem CID 115267700) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide
PubChem CID115267700
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide
SMILESCN(CC1(CN)CC1)C(=O)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-16(9-13(8-15)6-7-13)12(17)10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3
InChIKeyAWYCHESHJMIQJF-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylbenzamide
CID 115267586
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide
CID 115272625
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
CID 115272186
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide
CID 115272187
3-[(2-chlorobenzoyl)-methylamino]-2,2-dimethylpropanoic acid
CID 166311566
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide
CID 115272631
2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid
CID 105414289
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 115272705
octyl 2-[(2-chlorobenzoyl)-methylamino]acetate
CID 91716463

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide (CID 115267700) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide is CN(CC1(CN)CC1)C(=O)c1ccccc1Cl.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide?
The InChIKey is AWYCHESHJMIQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-16(9-13(8-15)6-7-13)12(17)10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide has a molecular weight of 252.75 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide is sourced from PubChem (CID 115267700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).