2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide

C28H32Cl2N4O — CID 67596623

IUPAC2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)c(C(=O)NCC2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C28H32Cl2N4O/c1-33(2)24-11-12-26(31)25(17-24)28(35)32-18-19-13-15-34(16-14-19)27(20-3-7-22(29)8-4-20)21-5-9-23(30)10-6-21/h3-12,17,19,27H,13-16,18,31H2,1-2H3,(H,32,35)
InChIKeyLAOMTXQNWFPHHM-UHFFFAOYSA-N
MW511.50 g/mol
LogP5.87
Rot. Bonds7

About 2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide

2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide (PubChem CID 67596623) has the molecular formula C28H32Cl2N4O and a molecular weight of 511.50 g/mol. Its IUPAC name is 2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide.

Molecular Properties

Compound Name2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide
PubChem CID67596623
Molecular FormulaC28H32Cl2N4O
Molecular Weight511.50 g/mol
Exact Mass510.20
IUPAC Name2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)c(C(=O)NCC2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C28H32Cl2N4O/c1-33(2)24-11-12-26(31)25(17-24)28(35)32-18-19-13-15-34(16-14-19)27(20-3-7-22(29)8-4-20)21-5-9-23(30)10-6-21/h3-12,17,19,27H,13-16,18,31H2,1-2H3,(H,32,35)
InChIKeyLAOMTXQNWFPHHM-UHFFFAOYSA-N
XLogP5.87
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.50
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-(cyclobutylcarbamoylamino)-5-(dimethylamino)benzamide
CID 67596416
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide
CID 107075001
N-[(1-benzhydrylpiperidin-4-yl)methyl]-5-(methylamino)-2-nitrobenzamide
CID 67594574
2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897211
N-[(1-benzhydrylpiperidin-4-yl)methyl]-2-[butyl(carbamoyl)amino]benzamide
CID 67763797
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-3-(dimethylamino)benzamide
CID 508774
2-bromo-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]benzamide
CID 66993402
2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
4-amino-5-chloro-N-[[1-[3-(2,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 67367923
2-amino-5-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 55013606
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide?
The IUPAC name of 2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide (CID 67596623) is 2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide.
What is the SMILES notation for 2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide?
The canonical SMILES for 2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide is CN(C)c1ccc(N)c(C(=O)NCC2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide?
The InChIKey is LAOMTXQNWFPHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N4O/c1-33(2)24-11-12-26(31)25(17-24)28(35)32-18-19-13-15-34(16-14-19)27(20-3-7-22(29)8-4-20)21-5-9-23(30)10-6-21/h3-12,17,19,27H,13-16,18,31H2,1-2H3,(H,32,35).
What are the key properties of 2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide?
2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide has a molecular weight of 511.50 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[bis(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(dimethylamino)benzamide is sourced from PubChem (CID 67596623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).