bis[2-chloro-4-(diethylamino)phenyl]methanone

C21H26Cl2N2O — CID 139673948

IUPACbis[2-chloro-4-(diethylamino)phenyl]methanone
SMILESCCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2Cl)c(Cl)c1
InChIInChI=1S/C21H26Cl2N2O/c1-5-24(6-2)15-9-11-17(19(22)13-15)21(26)18-12-10-16(14-20(18)23)25(7-3)8-4/h9-14H,5-8H2,1-4H3
InChIKeyBBSZURUDDYDDAU-UHFFFAOYSA-N
MW393.36 g/mol
LogP5.92
Rot. Bonds8

About bis[2-chloro-4-(diethylamino)phenyl]methanone

bis[2-chloro-4-(diethylamino)phenyl]methanone (PubChem CID 139673948) has the molecular formula C21H26Cl2N2O and a molecular weight of 393.36 g/mol. Its IUPAC name is bis[2-chloro-4-(diethylamino)phenyl]methanone.

Molecular Properties

Compound Namebis[2-chloro-4-(diethylamino)phenyl]methanone
PubChem CID139673948
Molecular FormulaC21H26Cl2N2O
Molecular Weight393.36 g/mol
Exact Mass392.14
IUPAC Namebis[2-chloro-4-(diethylamino)phenyl]methanone
SMILESCCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2Cl)c(Cl)c1
InChIInChI=1S/C21H26Cl2N2O/c1-5-24(6-2)15-9-11-17(19(22)13-15)21(26)18-12-10-16(14-20(18)23)25(7-3)8-4/h9-14H,5-8H2,1-4H3
InChIKeyBBSZURUDDYDDAU-UHFFFAOYSA-N
XLogP5.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.36
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(diethylamino)benzoic acid
CID 62945761
2-chloro-5-(diethylamino)benzoic acid
CID 79695041
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 62946083
2-chloro-4-[ethyl(2-methylprop-2-enyl)amino]benzoic acid
CID 55153564
2,5-bis[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
CID 67893360
(Z)-4-[4-(diethylamino)-2-methylphenyl]pent-3-en-2-one
CID 167297529
1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone
CID 67362271
2-chloro-1-[4-(diethylamino)-2-methoxyphenyl]ethanone
CID 82052970
1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
CID 151104618
methyl 4-(diethylamino)-2-hydroxybenzoate
CID 18402115
2-chloro-4-[3-(diethylamino)propyl-ethylamino]benzenecarbothioamide
CID 102993428

Frequently Asked Questions

What is the IUPAC name of bis[2-chloro-4-(diethylamino)phenyl]methanone?
The IUPAC name of bis[2-chloro-4-(diethylamino)phenyl]methanone (CID 139673948) is bis[2-chloro-4-(diethylamino)phenyl]methanone.
What is the SMILES notation for bis[2-chloro-4-(diethylamino)phenyl]methanone?
The canonical SMILES for bis[2-chloro-4-(diethylamino)phenyl]methanone is CCN(CC)c1ccc(C(=O)c2ccc(N(CC)CC)cc2Cl)c(Cl)c1.
What is the InChIKey of bis[2-chloro-4-(diethylamino)phenyl]methanone?
The InChIKey is BBSZURUDDYDDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O/c1-5-24(6-2)15-9-11-17(19(22)13-15)21(26)18-12-10-16(14-20(18)23)25(7-3)8-4/h9-14H,5-8H2,1-4H3.
What are the key properties of bis[2-chloro-4-(diethylamino)phenyl]methanone?
bis[2-chloro-4-(diethylamino)phenyl]methanone has a molecular weight of 393.36 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-chloro-4-(diethylamino)phenyl]methanone is sourced from PubChem (CID 139673948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).