2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide

C18H18Cl3N3O2 — CID 35185117

IUPAC2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C18H18Cl3N3O2/c1-18(2,3)17(26)22-12-6-4-5-10(7-12)16(25)24-23-15-13(20)8-11(19)9-14(15)21/h4-9,23H,1-3H3,(H,22,26)(H,24,25)
InChIKeyGELXNOZMTZXZAB-UHFFFAOYSA-N
MW414.72 g/mol
LogP5.39
Rot. Bonds4

About 2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide

2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide (PubChem CID 35185117) has the molecular formula C18H18Cl3N3O2 and a molecular weight of 414.72 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide
PubChem CID35185117
Molecular FormulaC18H18Cl3N3O2
Molecular Weight414.72 g/mol
Exact Mass413.05
IUPAC Name2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C18H18Cl3N3O2/c1-18(2,3)17(26)22-12-6-4-5-10(7-12)16(25)24-23-15-13(20)8-11(19)9-14(15)21/h4-9,23H,1-3H3,(H,22,26)(H,24,25)
InChIKeyGELXNOZMTZXZAB-UHFFFAOYSA-N
XLogP5.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
2,2-dimethyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]propanamide
CID 78840745
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 55532232
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689
N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 47099649
3-chloro-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17204735
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide (CID 35185117) is 2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide?
The InChIKey is GELXNOZMTZXZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N3O2/c1-18(2,3)17(26)22-12-6-4-5-10(7-12)16(25)24-23-15-13(20)8-11(19)9-14(15)21/h4-9,23H,1-3H3,(H,22,26)(H,24,25).
What are the key properties of 2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide?
2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide has a molecular weight of 414.72 g/mol, XLogP of 5.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[(2,4,6-trichloroanilino)carbamoyl]phenyl]propanamide is sourced from PubChem (CID 35185117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).