4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride

C26H26Cl2N2O — CID 90213944

IUPAC4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C26H25ClN2O.ClH/c27-24-4-2-1-3-22(24)18-7-9-20(10-8-18)26(30)29-21-13-11-19(12-14-21)23-15-25(23)28-16-17-5-6-17;/h1-4,7-14,17,23,25,28H,5-6,15-16H2,(H,29,30);1H
InChIKeySSSVJTGVTGAKDO-UHFFFAOYSA-N
MW453.41 g/mol
LogP6.54
Rot. Bonds7

About 4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride

4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride (PubChem CID 90213944) has the molecular formula C26H26Cl2N2O and a molecular weight of 453.41 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
PubChem CID90213944
Molecular FormulaC26H26Cl2N2O
Molecular Weight453.41 g/mol
Exact Mass452.14
IUPAC Name4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C26H25ClN2O.ClH/c27-24-4-2-1-3-22(24)18-7-9-20(10-8-18)26(30)29-21-13-11-19(12-14-21)23-15-25(23)28-16-17-5-6-17;/h1-4,7-14,17,23,25,28H,5-6,15-16H2,(H,29,30);1H
InChIKeySSSVJTGVTGAKDO-UHFFFAOYSA-N
XLogP6.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.41
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide
CID 71260560
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 71260518

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride?
The IUPAC name of 4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride (CID 90213944) is 4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride is Cl.O=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride?
The InChIKey is SSSVJTGVTGAKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O.ClH/c27-24-4-2-1-3-22(24)18-7-9-20(10-8-18)26(30)29-21-13-11-19(12-14-21)23-15-25(23)28-16-17-5-6-17;/h1-4,7-14,17,23,25,28H,5-6,15-16H2,(H,29,30);1H.
What are the key properties of 4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride?
4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride has a molecular weight of 453.41 g/mol, XLogP of 6.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 90213944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).