2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide

C28H31Cl2N3O2 — CID 10006604

IUPAC2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC(NC(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C28H31Cl2N3O2/c1-17(2)20-12-8-13-21(18(3)4)26(20)33-28(35)31-16-24(19-10-6-5-7-11-19)32-27(34)25-22(29)14-9-15-23(25)30/h5-15,17-18,24H,16H2,1-4H3,(H,32,34)(H2,31,33,35)
InChIKeyZPXIXTUFRVGRJR-UHFFFAOYSA-N
MW512.48 g/mol
LogP7.53
Rot. Bonds8

About 2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide

2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide (PubChem CID 10006604) has the molecular formula C28H31Cl2N3O2 and a molecular weight of 512.48 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide
PubChem CID10006604
Molecular FormulaC28H31Cl2N3O2
Molecular Weight512.48 g/mol
Exact Mass511.18
IUPAC Name2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC(NC(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C28H31Cl2N3O2/c1-17(2)20-12-8-13-21(18(3)4)26(20)33-28(35)31-16-24(19-10-6-5-7-11-19)32-27(34)25-22(29)14-9-15-23(25)30/h5-15,17-18,24H,16H2,1-4H3,(H,32,34)(H2,31,33,35)
InChIKeyZPXIXTUFRVGRJR-UHFFFAOYSA-N
XLogP7.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.48
LogP ≤ 57.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-amino-2-phenylethyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 67941886
1-[2,6-di(propan-2-yl)phenyl]-3-[2-phenyl-2-(phenylmethoxyamino)ethyl]urea
CID 142628200
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1H-indol-2-ylamino)-2-phenylethyl]urea
CID 154480999
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413
N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide
CID 139505626
1-[2,6-di(propan-2-yl)phenyl]-3-[(2R)-2-phenyl-2-(pyridin-3-ylmethylamino)ethyl]urea
CID 67941917
1-[2,6-di(propan-2-yl)phenyl]-3-[(2R)-2-[(3-nitrophenyl)methylamino]-2-phenylethyl]urea
CID 10412628
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
1-[2,6-di(propan-2-yl)phenyl]-3-[2-[1-[(4-fluorophenyl)methoxy]ethylamino]-2-phenylethyl]urea
CID 142640409
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-[2,6-di(propan-2-yl)phenyl]-3-[(2R)-2-[(2-methoxyphenyl)methylideneamino]-2-phenylethyl]urea
CID 10321884

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide (CID 10006604) is 2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide is CC(C)c1cccc(C(C)C)c1NC(=O)NCC(NC(=O)c1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide?
The InChIKey is ZPXIXTUFRVGRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Cl2N3O2/c1-17(2)20-12-8-13-21(18(3)4)26(20)33-28(35)31-16-24(19-10-6-5-7-11-19)32-27(34)25-22(29)14-9-15-23(25)30/h5-15,17-18,24H,16H2,1-4H3,(H,32,34)(H2,31,33,35).
What are the key properties of 2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide?
2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide has a molecular weight of 512.48 g/mol, XLogP of 7.53, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]benzamide is sourced from PubChem (CID 10006604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).