N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide

C28H27ClN2O — CID 24953762

IUPACN-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide
SMILESCN(C)CC[C@H](NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C28H27ClN2O/c1-31(2)17-16-27(21-12-14-26(29)15-13-21)30-28(32)25-9-5-8-23(19-25)24-11-10-20-6-3-4-7-22(20)18-24/h3-15,18-19,27H,16-17H2,1-2H3,(H,30,32)/t27-/m0/s1
InChIKeyJBMJUKFNCFTHQA-MHZLTWQESA-N
MW442.99 g/mol
LogP6.58
Rot. Bonds7

About N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide

N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide (PubChem CID 24953762) has the molecular formula C28H27ClN2O and a molecular weight of 442.99 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide
PubChem CID24953762
Molecular FormulaC28H27ClN2O
Molecular Weight442.99 g/mol
Exact Mass442.18
IUPAC NameN-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide
SMILESCN(C)CC[C@H](NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C28H27ClN2O/c1-31(2)17-16-27(21-12-14-26(29)15-13-21)30-28(32)25-9-5-8-23(19-25)24-11-10-20-6-3-4-7-22(20)18-24/h3-15,18-19,27H,16-17H2,1-2H3,(H,30,32)/t27-/m0/s1
InChIKeyJBMJUKFNCFTHQA-MHZLTWQESA-N
XLogP6.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.99
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylbenzamide
CID 24953415
4-(4-chlorophenyl)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride
CID 45481577
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(tetrazol-1-yl)benzamide
CID 110278520
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-2-ylbenzenesulfonamide
CID 69449602
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxybenzamide
CID 110278628
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide
CID 69166105
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] naphthalene-2-carboxylate
CID 11697064
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983443
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 110278361

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide (CID 24953762) is N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide is CN(C)CC[C@H](NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide?
The InChIKey is JBMJUKFNCFTHQA-MHZLTWQESA-N. The full InChI is InChI=1S/C28H27ClN2O/c1-31(2)17-16-27(21-12-14-26(29)15-13-21)30-28(32)25-9-5-8-23(19-25)24-11-10-20-6-3-4-7-22(20)18-24/h3-15,18-19,27H,16-17H2,1-2H3,(H,30,32)/t27-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide?
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide has a molecular weight of 442.99 g/mol, XLogP of 6.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide is sourced from PubChem (CID 24953762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).