4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide

C30H34ClN3O — CID 91519352

IUPAC4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2cccc(NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C30H34ClN3O/c1-3-34(4-2)30(35)23-17-15-22(16-18-23)29(28-14-7-8-19-32-28)24-11-9-12-26(20-24)33-21-25-10-5-6-13-27(25)31/h5-6,9-13,15-18,20,29,33H,3-4,7-8,14,19,21H2,1-2H3
InChIKeyJCYFSIOYMBYOBC-UHFFFAOYSA-N
MW488.08 g/mol
LogP7.19
Rot. Bonds9

About 4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide

4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide (PubChem CID 91519352) has the molecular formula C30H34ClN3O and a molecular weight of 488.08 g/mol. Its IUPAC name is 4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide
PubChem CID91519352
Molecular FormulaC30H34ClN3O
Molecular Weight488.08 g/mol
Exact Mass487.24
IUPAC Name4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2cccc(NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C30H34ClN3O/c1-3-34(4-2)30(35)23-17-15-22(16-18-23)29(28-14-7-8-19-32-28)24-11-9-12-26(20-24)33-21-25-10-5-6-13-27(25)31/h5-6,9-13,15-18,20,29,33H,3-4,7-8,14,19,21H2,1-2H3
InChIKeyJCYFSIOYMBYOBC-UHFFFAOYSA-N
XLogP7.19
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.08
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide
CID 90985936
3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide
CID 90929441
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 54832867
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
CID 109257482
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide
CID 104878920
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
N-[(2-chlorophenyl)methyl]-3-ethyl-4-methylaniline
CID 114250155
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide
CID 55773964
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
N,N-diethyl-4-[(S)-[3-[(2-phenylacetyl)amino]phenyl]-piperazin-1-ylmethyl]benzamide
CID 10345250

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide (CID 91519352) is 4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2cccc(NCc3ccccc3Cl)c2)cc1.
What is the InChIKey of 4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide?
The InChIKey is JCYFSIOYMBYOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O/c1-3-34(4-2)30(35)23-17-15-22(16-18-23)29(28-14-7-8-19-32-28)24-11-9-12-26(20-24)33-21-25-10-5-6-13-27(25)31/h5-6,9-13,15-18,20,29,33H,3-4,7-8,14,19,21H2,1-2H3.
What are the key properties of 4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide?
4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide has a molecular weight of 488.08 g/mol, XLogP of 7.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 91519352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).