N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide

C20H21Cl2N3O2 — CID 10194383

IUPACN-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCC(NC(=O)C1CNC(=O)N1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2N3O2/c1-12(24-19(26)18-11-23-20(27)25-18)17(14-4-8-16(22)9-5-14)10-13-2-6-15(21)7-3-13/h2-9,12,17-18H,10-11H2,1H3,(H,24,26)(H2,23,25,27)
InChIKeyZIRYSNDBUSVHTN-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.51
Rot. Bonds6

About N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 10194383) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID10194383
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCC(NC(=O)C1CNC(=O)N1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2N3O2/c1-12(24-19(26)18-11-23-20(27)25-18)17(14-4-8-16(22)9-5-14)10-13-2-6-15(21)7-3-13/h2-9,12,17-18H,10-11H2,1H3,(H,24,26)(H2,23,25,27)
InChIKeyZIRYSNDBUSVHTN-UHFFFAOYSA-N
XLogP3.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1,2,3,4-tetrahydro-1,8-naphthyridine-2-carboxamide
CID 10173794
(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide
CID 10025786
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327
1-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)urea
CID 10173713
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide
CID 10195542
(4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520917
N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
CID 142818762
N-[(2R,3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-methylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate
CID 160951026
(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 162509714
(4S)-N-[(S)-(4-chlorophenyl)-pyrazolo[1,5-a]pyridin-5-ylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 162520803

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide (CID 10194383) is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide is CC(NC(=O)C1CNC(=O)N1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is ZIRYSNDBUSVHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c1-12(24-19(26)18-11-23-20(27)25-18)17(14-4-8-16(22)9-5-14)10-13-2-6-15(21)7-3-13/h2-9,12,17-18H,10-11H2,1H3,(H,24,26)(H2,23,25,27).
What are the key properties of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide?
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 406.31 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 10194383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).