4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide

C19H20ClNO3 — CID 19645276

IUPAC4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide
SMILESCC(C)(C)C(=O)COc1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO3/c1-19(2,3)17(22)12-24-16-6-4-5-15(11-16)21-18(23)13-7-9-14(20)10-8-13/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyNBMYTQVAOOJZHF-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.59
Rot. Bonds5

About 4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide

4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide (PubChem CID 19645276) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide
PubChem CID19645276
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide
SMILESCC(C)(C)C(=O)COc1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H20ClNO3/c1-19(2,3)17(22)12-24-16-6-4-5-15(11-16)21-18(23)13-7-9-14(20)10-8-13/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyNBMYTQVAOOJZHF-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644940
N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]-3-nitrobenzamide
CID 19645279
2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
N-[3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883909
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262452
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17122474
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]benzoate
CID 17178302
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
4-chloro-N-[3-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 5007184

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide (CID 19645276) is 4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide is CC(C)(C)C(=O)COc1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide?
The InChIKey is NBMYTQVAOOJZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-19(2,3)17(22)12-24-16-6-4-5-15(11-16)21-18(23)13-7-9-14(20)10-8-13/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide?
4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide has a molecular weight of 345.83 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide is sourced from PubChem (CID 19645276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).