4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide

C23H29ClN2O — CID 501396

IUPAC4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide
SMILESCN(C)Cc1ccc(C2CCC(N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN2O/c1-25(2)16-17-4-6-18(7-5-17)19-10-14-22(15-11-19)26(3)23(27)20-8-12-21(24)13-9-20/h4-9,12-13,19,22H,10-11,14-16H2,1-3H3
InChIKeyWBNUHWUTAHSPER-UHFFFAOYSA-N
MW384.95 g/mol
LogP5.20
Rot. Bonds5

About 4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide

4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide (PubChem CID 501396) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is 4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide
PubChem CID501396
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC Name4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide
SMILESCN(C)Cc1ccc(C2CCC(N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H29ClN2O/c1-25(2)16-17-4-6-18(7-5-17)19-10-14-22(15-11-19)26(3)23(27)20-8-12-21(24)13-9-20/h4-9,12-13,19,22H,10-11,14-16H2,1-3H3
InChIKeyWBNUHWUTAHSPER-UHFFFAOYSA-N
XLogP5.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.95
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60130264
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CID 2164652
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CID 1226772
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CID 306478
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CID 14783875
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CID 23647082
CID 23647082

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide (CID 501396) is 4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide is CN(C)Cc1ccc(C2CCC(N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide?
The InChIKey is WBNUHWUTAHSPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O/c1-25(2)16-17-4-6-18(7-5-17)19-10-14-22(15-11-19)26(3)23(27)20-8-12-21(24)13-9-20/h4-9,12-13,19,22H,10-11,14-16H2,1-3H3.
What are the key properties of 4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide?
4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide has a molecular weight of 384.95 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 501396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).