3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide

C21H26ClNO2 — CID 2958205

IUPAC3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)CC(c1ccccc1)c1cc(Cl)ccc1O)C(C)C
InChIInChI=1S/C21H26ClNO2/c1-14(2)23(15(3)4)21(25)13-18(16-8-6-5-7-9-16)19-12-17(22)10-11-20(19)24/h5-12,14-15,18,24H,13H2,1-4H3
InChIKeyFSMPIXPHEVVHEL-UHFFFAOYSA-N
MW359.90 g/mol
LogP5.21
Rot. Bonds6

About 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide

3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide (PubChem CID 2958205) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
PubChem CID2958205
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)CC(c1ccccc1)c1cc(Cl)ccc1O)C(C)C
InChIInChI=1S/C21H26ClNO2/c1-14(2)23(15(3)4)21(25)13-18(16-8-6-5-7-9-16)19-12-17(22)10-11-20(19)24/h5-12,14-15,18,24H,13H2,1-4H3
InChIKeyFSMPIXPHEVVHEL-UHFFFAOYSA-N
XLogP5.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2-[3-oxo-1-phenyl-3-(1-pyrrolidinyl)propyl]phenol
CID 2963071
3-(2-Hydroxyphenyl)-3-phenyl-1-(piperidin-1-yl)propan-1-one
CID 3149891
3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
CID 3155496
3-(2-Hydroxyphenyl)-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one
CID 3845025
4-Chloro-2-[3-(4-morpholinyl)-3-oxo-1-phenylpropyl]phenol
CID 2952392
3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 2951426
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 2951983
N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide
CID 2960667
3-(2-hydroxy-5-methylphenyl)-3-phenyl-N,N-dipropylpropanamide
CID 3563709
3-(2-hydroxy-4-methylphenyl)-3-phenyl-N,N-dipropylpropanamide
CID 4318636
4-Chloro-2-[3-oxo-1-phenyl-3-(1-piperidinyl)propyl]phenol
CID 4646696
3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(tetrahydro-2H-pyran-4-yl)propanamide
CID 45227792

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide (CID 2958205) is 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)CC(c1ccccc1)c1cc(Cl)ccc1O)C(C)C.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is FSMPIXPHEVVHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-14(2)23(15(3)4)21(25)13-18(16-8-6-5-7-9-16)19-12-17(22)10-11-20(19)24/h5-12,14-15,18,24H,13H2,1-4H3.
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide?
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 359.90 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 2958205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).