N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide

C20H18ClNO3 — CID 9203867

IUPACN-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C20H18ClNO3/c1-20(2,3)12-4-7-14(8-5-12)22-19(24)18-11-16(23)15-10-13(21)6-9-17(15)25-18/h4-11H,1-3H3,(H,22,24)
InChIKeyHVBFWGAEWDOLPJ-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.00
Rot. Bonds2

About N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide

N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide (PubChem CID 9203867) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
PubChem CID9203867
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC NameN-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C20H18ClNO3/c1-20(2,3)12-4-7-14(8-5-12)22-19(24)18-11-16(23)15-10-13(21)6-9-17(15)25-18/h4-11H,1-3H3,(H,22,24)
InChIKeyHVBFWGAEWDOLPJ-UHFFFAOYSA-N
XLogP5.00
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
CID 9040132
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 35181653
1-[(6-chloro-4-oxochromene-2-carbonyl)amino]-3-(4-chlorophenyl)thiourea
CID 9317388
N-[2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-6-chloro-4-oxochromene-2-carboxamide;hydrochloride
CID 52988291
6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide
CID 51065387
N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide
CID 38253448
6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide
CID 99585387
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 9481083
6-chloro-N-[4-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-4-oxochromene-2-carboxamide
CID 52988546
6-chloro-N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835237
N-[2-(4-tert-butylphenyl)-4-oxochromen-6-yl]pyridine-4-carboxamide
CID 27532214

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide (CID 9203867) is N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide?
The InChIKey is HVBFWGAEWDOLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-20(2,3)12-4-7-14(8-5-12)22-19(24)18-11-16(23)15-10-13(21)6-9-17(15)25-18/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide?
N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide has a molecular weight of 355.82 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide is sourced from PubChem (CID 9203867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).