[4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone

C25H29Cl3N2O2 — CID 130460367

IUPAC[4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone
SMILESC[C@@H](Nc1cc(C2CCC(C(=O)N3CCOCC3)CC2)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H29Cl3N2O2/c1-16(21-8-7-20(26)15-23(21)28)29-24-14-19(6-9-22(24)27)17-2-4-18(5-3-17)25(31)30-10-12-32-13-11-30/h6-9,14-18,29H,2-5,10-13H2,1H3/t16-,17?,18?/m1/s1
InChIKeyCBUPCGLJDCNZOV-WWDZGPRUSA-N
MW495.88 g/mol
LogP6.95
Rot. Bonds5

About [4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone

[4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone (PubChem CID 130460367) has the molecular formula C25H29Cl3N2O2 and a molecular weight of 495.88 g/mol. Its IUPAC name is [4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone
PubChem CID130460367
Molecular FormulaC25H29Cl3N2O2
Molecular Weight495.88 g/mol
Exact Mass494.13
IUPAC Name[4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone
SMILESC[C@@H](Nc1cc(C2CCC(C(=O)N3CCOCC3)CC2)ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H29Cl3N2O2/c1-16(21-8-7-20(26)15-23(21)28)29-24-14-19(6-9-22(24)27)17-2-4-18(5-3-17)25(31)30-10-12-32-13-11-30/h6-9,14-18,29H,2-5,10-13H2,1H3/t16-,17?,18?/m1/s1
InChIKeyCBUPCGLJDCNZOV-WWDZGPRUSA-N
XLogP6.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.88
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

1-[3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidin-1-yl]pyrrolidin-1-yl]ethanone
CID 78120941
(3R)-3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidin-1-yl]pyrrolidine-1-carboxamide
CID 134602009
methyl 1-[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 126578858
N-[1-[1-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]piperidine-4-carbonyl]piperidin-4-yl]-N-methylacetamide
CID 71582386
2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-5-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]aniline
CID 126578469
[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidin-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 78120910
2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-[1-[(3S)-piperidin-3-yl]piperidin-4-yl]aniline
CID 86689044
2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(1-piperidin-3-ylpiperidin-4-yl)aniline
CID 71582553
1-[1-[1-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperidine-4-carbonyl]pyrrolidin-3-yl]-1-methylurea
CID 78121032
2-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-piperidin-1-ylaniline
CID 141364021
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 51928393
N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine
CID 83010331

Frequently Asked Questions

What is the IUPAC name of [4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone (CID 130460367) is [4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone is C[C@@H](Nc1cc(C2CCC(C(=O)N3CCOCC3)CC2)ccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of [4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone?
The InChIKey is CBUPCGLJDCNZOV-WWDZGPRUSA-N. The full InChI is InChI=1S/C25H29Cl3N2O2/c1-16(21-8-7-20(26)15-23(21)28)29-24-14-19(6-9-22(24)27)17-2-4-18(5-3-17)25(31)30-10-12-32-13-11-30/h6-9,14-18,29H,2-5,10-13H2,1H3/t16-,17?,18?/m1/s1.
What are the key properties of [4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone?
[4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone has a molecular weight of 495.88 g/mol, XLogP of 6.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]cyclohexyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 130460367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).