N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide

C13H16Cl2N2O — CID 116651988

IUPACN-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
SMILESCN(C(=O)c1c(Cl)cccc1Cl)C(CN)C1CC1
InChIInChI=1S/C13H16Cl2N2O/c1-17(11(7-16)8-5-6-8)13(18)12-9(14)3-2-4-10(12)15/h2-4,8,11H,5-7,16H2,1H3
InChIKeyDLNDCNNQZZHJCN-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.80
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide

N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide (PubChem CID 116651988) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
PubChem CID116651988
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
SMILESCN(C(=O)c1c(Cl)cccc1Cl)C(CN)C1CC1
InChIInChI=1S/C13H16Cl2N2O/c1-17(11(7-16)8-5-6-8)13(18)12-9(14)3-2-4-10(12)15/h2-4,8,11H,5-7,16H2,1H3
InChIKeyDLNDCNNQZZHJCN-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 116652032
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 116651907
N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide
CID 116651594
N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide
CID 116651955
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide
CID 114030464
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
CID 116651837
1-(2-amino-1-cyclopropylethyl)-3-benzyl-1-methylurea
CID 107654315
N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide
CID 116652070
N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 116651942
N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide
CID 104556293
1-(2-amino-1-cyclopropylethyl)-1,3,3-trimethylurea
CID 116652099
N-(2-amino-1-cyclopropylethyl)-N-methylquinoline-4-carboxamide
CID 116651974

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide (CID 116651988) is N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide is CN(C(=O)c1c(Cl)cccc1Cl)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide?
The InChIKey is DLNDCNNQZZHJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-17(11(7-16)8-5-6-8)13(18)12-9(14)3-2-4-10(12)15/h2-4,8,11H,5-7,16H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide?
N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide has a molecular weight of 287.19 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide is sourced from PubChem (CID 116651988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).