4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid

C19H19Cl2NO3 — CID 154036998

IUPAC4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid
SMILESCC(C)(CNC(=O)c1ccc(Cl)cc1)Cc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C19H19Cl2NO3/c1-19(2,10-13-9-15(21)7-8-16(13)18(24)25)11-22-17(23)12-3-5-14(20)6-4-12/h3-9H,10-11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyGXFABAKJWJZNCZ-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.69
Rot. Bonds6

About 4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid

4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid (PubChem CID 154036998) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is 4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid
PubChem CID154036998
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid
SMILESCC(C)(CNC(=O)c1ccc(Cl)cc1)Cc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C19H19Cl2NO3/c1-19(2,10-13-9-15(21)7-8-16(13)18(24)25)11-22-17(23)12-3-5-14(20)6-4-12/h3-9H,10-11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyGXFABAKJWJZNCZ-UHFFFAOYSA-N
XLogP4.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543
4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide
CID 103825506
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
4-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-hydroxybenzamide
CID 115364597
2-bromo-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825239
4-chlorobenzoic acid;4-chloro-2-methylbenzoic acid;iodomethane
CID 160911863
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
N-[3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,2-dimethylpropyl]-2-hydroxybenzamide
CID 90185417
4-chloro-N-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]benzamide
CID 123692318

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid?
The IUPAC name of 4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid (CID 154036998) is 4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid.
What is the SMILES notation for 4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid?
The canonical SMILES for 4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid is CC(C)(CNC(=O)c1ccc(Cl)cc1)Cc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid?
The InChIKey is GXFABAKJWJZNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-19(2,10-13-9-15(21)7-8-16(13)18(24)25)11-22-17(23)12-3-5-14(20)6-4-12/h3-9H,10-11H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid?
4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid has a molecular weight of 380.27 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-[(4-chlorobenzoyl)amino]-2,2-dimethylpropyl]benzoic acid is sourced from PubChem (CID 154036998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).