N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide

C22H14BrNO3 — CID 4900984

IUPACN-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide
SMILESO=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C22H14BrNO3/c23-16-12-10-14(11-13-16)19-20(25)17-8-4-5-9-18(17)27-22(19)24-21(26)15-6-2-1-3-7-15/h1-13H,(H,24,26)
InChIKeyQDNKZQOANPGFJH-UHFFFAOYSA-N
MW420.26 g/mol
LogP5.47
Rot. Bonds3

About N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide

N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide (PubChem CID 4900984) has the molecular formula C22H14BrNO3 and a molecular weight of 420.26 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide
PubChem CID4900984
Molecular FormulaC22H14BrNO3
Molecular Weight420.26 g/mol
Exact Mass419.02
IUPAC NameN-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide
SMILESO=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C22H14BrNO3/c23-16-12-10-14(11-13-16)19-20(25)17-8-4-5-9-18(17)27-22(19)24-21(26)15-6-2-1-3-7-15/h1-13H,(H,24,26)
InChIKeyQDNKZQOANPGFJH-UHFFFAOYSA-N
XLogP5.47
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.26
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-chlorophenyl)-4-oxochromen-2-yl]benzamide
CID 4910374
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide
CID 7678084
N-[2-(4-bromophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide
CID 135024757
N-[3-(4-methylphenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4870395
N-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-2-yl]-4-tert-butylbenzamide
CID 4909608
2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide
CID 7463394
N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide
CID 4905865
4-methoxy-N-(3-naphthalen-1-yl-4-oxochromen-2-yl)benzamide
CID 4971299
N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4975081
N-(6-chloro-4-oxo-3-phenylchromen-2-yl)-3-nitrobenzamide
CID 4870359
dibutyl-[2-[[3-(4-fluorophenyl)-4-oxochromen-2-yl]amino]-2-oxoethyl]azanium
CID 7463114
3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
CID 16957116

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide?
The IUPAC name of N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide (CID 4900984) is N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide?
The canonical SMILES for N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide is O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide?
The InChIKey is QDNKZQOANPGFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrNO3/c23-16-12-10-14(11-13-16)19-20(25)17-8-4-5-9-18(17)27-22(19)24-21(26)15-6-2-1-3-7-15/h1-13H,(H,24,26).
What are the key properties of N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide?
N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide has a molecular weight of 420.26 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide is sourced from PubChem (CID 4900984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).