3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride

C21H25ClN2O — CID 118305065

IUPAC3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride
SMILESCN(C(=O)c1cccc(C2CC2NCC2CC2)c1)c1ccccc1.Cl
InChIInChI=1S/C21H24N2O.ClH/c1-23(18-8-3-2-4-9-18)21(24)17-7-5-6-16(12-17)19-13-20(19)22-14-15-10-11-15;/h2-9,12,15,19-20,22H,10-11,13-14H2,1H3;1H
InChIKeyVATKXCZOJNLEQL-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.24
Rot. Bonds6

About 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride

3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride (PubChem CID 118305065) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride
PubChem CID118305065
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride
SMILESCN(C(=O)c1cccc(C2CC2NCC2CC2)c1)c1ccccc1.Cl
InChIInChI=1S/C21H24N2O.ClH/c1-23(18-8-3-2-4-9-18)21(24)17-7-5-6-16(12-17)19-13-20(19)22-14-15-10-11-15;/h2-9,12,15,19-20,22H,10-11,13-14H2,1H3;1H
InChIKeyVATKXCZOJNLEQL-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride?
The IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride (CID 118305065) is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride.
What is the SMILES notation for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride?
The canonical SMILES for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride is CN(C(=O)c1cccc(C2CC2NCC2CC2)c1)c1ccccc1.Cl.
What is the InChIKey of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride?
The InChIKey is VATKXCZOJNLEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O.ClH/c1-23(18-8-3-2-4-9-18)21(24)17-7-5-6-16(12-17)19-13-20(19)22-14-15-10-11-15;/h2-9,12,15,19-20,22H,10-11,13-14H2,1H3;1H.
What are the key properties of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride?
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-methyl-N-phenylbenzamide;hydrochloride is sourced from PubChem (CID 118305065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).