1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride

C12H16Cl2N2O2 — CID 119807505

IUPAC1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(N(C)C(=O)C2(N)CC2)cc1Cl.Cl
InChIInChI=1S/C12H15ClN2O2.ClH/c1-15(11(16)12(14)5-6-12)8-3-4-10(17-2)9(13)7-8;/h3-4,7H,5-6,14H2,1-2H3;1H
InChIKeyOVBLZEARAKSIOZ-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.22
Rot. Bonds3

About 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride

1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119807505) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119807505
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(N(C)C(=O)C2(N)CC2)cc1Cl.Cl
InChIInChI=1S/C12H15ClN2O2.ClH/c1-15(11(16)12(14)5-6-12)8-3-4-10(17-2)9(13)7-8;/h3-4,7H,5-6,14H2,1-2H3;1H
InChIKeyOVBLZEARAKSIOZ-UHFFFAOYSA-N
XLogP2.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 119337228
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119337207
3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119807515
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119706037
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide
CID 86801277
N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide
CID 119050993
N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 71920533
1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide
CID 115189752
N-(3-chloro-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807540

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride (CID 119807505) is 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride is COc1ccc(N(C)C(=O)C2(N)CC2)cc1Cl.Cl.
What is the InChIKey of 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is OVBLZEARAKSIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2.ClH/c1-15(11(16)12(14)5-6-12)8-3-4-10(17-2)9(13)7-8;/h3-4,7H,5-6,14H2,1-2H3;1H.
What are the key properties of 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride?
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 291.18 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119807505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).