4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide

C25H20ClNO3 — CID 27532654

IUPAC4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide
SMILESCC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1
InChIInChI=1S/C25H20ClNO3/c1-15(2)16-3-5-17(6-4-16)24-14-22(28)21-13-20(11-12-23(21)30-24)27-25(29)18-7-9-19(26)10-8-18/h3-15H,1-2H3,(H,27,29)
InChIKeyBIKGGVPWWMXSEL-UHFFFAOYSA-N
MW417.89 g/mol
LogP6.49
Rot. Bonds4

About 4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide

4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide (PubChem CID 27532654) has the molecular formula C25H20ClNO3 and a molecular weight of 417.89 g/mol. Its IUPAC name is 4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide
PubChem CID27532654
Molecular FormulaC25H20ClNO3
Molecular Weight417.89 g/mol
Exact Mass417.11
IUPAC Name4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide
SMILESCC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1
InChIInChI=1S/C25H20ClNO3/c1-15(2)16-3-5-17(6-4-16)24-14-22(28)21-13-20(11-12-23(21)30-24)27-25(29)18-7-9-19(26)10-8-18/h3-15H,1-2H3,(H,27,29)
InChIKeyBIKGGVPWWMXSEL-UHFFFAOYSA-N
XLogP6.49
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.89
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide
CID 42506836
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-[2-(4-tert-butylphenyl)-4-oxochromen-6-yl]pyridine-4-carboxamide
CID 27532214
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568672
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
N-[2-(4-tert-butylphenyl)-4-oxochromen-6-yl]-2-fluorobenzamide
CID 18568810
N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790344

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide (CID 27532654) is 4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide is CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1.
What is the InChIKey of 4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide?
The InChIKey is BIKGGVPWWMXSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO3/c1-15(2)16-3-5-17(6-4-16)24-14-22(28)21-13-20(11-12-23(21)30-24)27-25(29)18-7-9-19(26)10-8-18/h3-15H,1-2H3,(H,27,29).
What are the key properties of 4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide?
4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide has a molecular weight of 417.89 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide is sourced from PubChem (CID 27532654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).