N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide

C19H22ClNO3 — CID 7913840

IUPACN-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc(Cl)c1OC
InChIInChI=1S/C19H22ClNO3/c1-19(2,3)13-6-8-14(9-7-13)21-18(22)12-10-15(20)17(24-5)16(11-12)23-4/h6-11H,1-5H3,(H,21,22)
InChIKeyPDGWUXIOQWJGSJ-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.91
Rot. Bonds4

About N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide

N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide (PubChem CID 7913840) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
PubChem CID7913840
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc(Cl)c1OC
InChIInChI=1S/C19H22ClNO3/c1-19(2,3)13-6-8-14(9-7-13)21-18(22)12-10-15(20)17(24-5)16(11-12)23-4/h6-11H,1-5H3,(H,21,22)
InChIKeyPDGWUXIOQWJGSJ-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide
CID 46519975

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide (CID 7913840) is N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide is COc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc(Cl)c1OC.
What is the InChIKey of N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide?
The InChIKey is PDGWUXIOQWJGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-19(2,3)13-6-8-14(9-7-13)21-18(22)12-10-15(20)17(24-5)16(11-12)23-4/h6-11H,1-5H3,(H,21,22).
What are the key properties of N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide?
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide has a molecular weight of 347.84 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide is sourced from PubChem (CID 7913840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).