N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride

C27H29ClN2O — CID 90214229

IUPACN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C2CC2NCC2CC2)cc1.Cl
InChIInChI=1S/C27H28N2O.ClH/c1-29(27(30)23-11-9-21(10-12-23)20-5-3-2-4-6-20)24-15-13-22(14-16-24)25-17-26(25)28-18-19-7-8-19;/h2-6,9-16,19,25-26,28H,7-8,17-18H2,1H3;1H
InChIKeyZHZULPHUPLSVLZ-UHFFFAOYSA-N
MW433.00 g/mol
LogP5.91
Rot. Bonds7

About N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride

N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride (PubChem CID 90214229) has the molecular formula C27H29ClN2O and a molecular weight of 433.00 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride
PubChem CID90214229
Molecular FormulaC27H29ClN2O
Molecular Weight433.00 g/mol
Exact Mass432.20
IUPAC NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C2CC2NCC2CC2)cc1.Cl
InChIInChI=1S/C27H28N2O.ClH/c1-29(27(30)23-11-9-21(10-12-23)20-5-3-2-4-6-20)24-15-13-22(14-16-24)25-17-26(25)28-18-19-7-8-19;/h2-6,9-16,19,25-26,28H,7-8,17-18H2,1H3;1H
InChIKeyZHZULPHUPLSVLZ-UHFFFAOYSA-N
XLogP5.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride?
The IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride (CID 90214229) is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride?
The canonical SMILES for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride is CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C2CC2NCC2CC2)cc1.Cl.
What is the InChIKey of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride?
The InChIKey is ZHZULPHUPLSVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O.ClH/c1-29(27(30)23-11-9-21(10-12-23)20-5-3-2-4-6-20)24-15-13-22(14-16-24)25-17-26(25)28-18-19-7-8-19;/h2-6,9-16,19,25-26,28H,7-8,17-18H2,1H3;1H.
What are the key properties of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride?
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride has a molecular weight of 433.00 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-N-methyl-4-phenylbenzamide;hydrochloride is sourced from PubChem (CID 90214229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).