2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid

C31H27Cl4NO3 — CID 157252881

IUPAC2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid
SMILESCC(C(=O)O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.CNC(=O)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO.C15H12Cl2O2/c1-16(15(20)19-2,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12;1-15(14(18)19,10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11/h3-10H,1-2H3,(H,19,20);2-9H,1H3,(H,18,19)
InChIKeyAWNRIBNCIAJZMD-UHFFFAOYSA-N
MW603.37 g/mol
LogP8.43
Rot. Bonds6

About 2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid

2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid (PubChem CID 157252881) has the molecular formula C31H27Cl4NO3 and a molecular weight of 603.37 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid
PubChem CID157252881
Molecular FormulaC31H27Cl4NO3
Molecular Weight603.37 g/mol
Exact Mass601.07
IUPAC Name2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid
SMILESCC(C(=O)O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.CNC(=O)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO.C15H12Cl2O2/c1-16(15(20)19-2,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12;1-15(14(18)19,10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11/h3-10H,1-2H3,(H,19,20);2-9H,1H3,(H,18,19)
InChIKeyAWNRIBNCIAJZMD-UHFFFAOYSA-N
XLogP8.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.37
LogP ≤ 58.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis[4-[bis[(4-chlorophenyl)methyl]amino]phenyl]propanoic acid
CID 19868057
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
CID 51887906
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 110466165
2-(4-chlorophenyl)-2-(cyclopropylamino)propanoic acid
CID 43754458
2-(4-chlorophenyl)propan-2-yl acetate
CID 23447101
2-[2-(4-chlorophenyl)propan-2-yl]propanedioic acid
CID 90150684
2-(4-chlorophenyl)-N-methylpropan-2-amine
CID 21341108
2-(4-chlorophenyl)-2-methylpentanedioic acid
CID 117050161
3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid
CID 24978280

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid?
The IUPAC name of 2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid (CID 157252881) is 2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid is CC(C(=O)O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.CNC(=O)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid?
The InChIKey is AWNRIBNCIAJZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO.C15H12Cl2O2/c1-16(15(20)19-2,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12;1-15(14(18)19,10-2-6-12(16)7-3-10)11-4-8-13(17)9-5-11/h3-10H,1-2H3,(H,19,20);2-9H,1H3,(H,18,19).
What are the key properties of 2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid?
2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid has a molecular weight of 603.37 g/mol, XLogP of 8.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-N-methylpropanamide;2,2-bis(4-chlorophenyl)propanoic acid is sourced from PubChem (CID 157252881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).