N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide

C24H17Cl2NO5 — CID 4905865

IUPACN-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C24H17Cl2NO5/c1-30-19-10-8-14(12-20(19)31-2)23(29)27-24-21(13-7-9-16(25)17(26)11-13)22(28)15-5-3-4-6-18(15)32-24/h3-12H,1-2H3,(H,27,29)
InChIKeyMOVMHZWJNOUOGF-UHFFFAOYSA-N
MW470.31 g/mol
LogP6.04
Rot. Bonds5

About N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide

N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide (PubChem CID 4905865) has the molecular formula C24H17Cl2NO5 and a molecular weight of 470.31 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide
PubChem CID4905865
Molecular FormulaC24H17Cl2NO5
Molecular Weight470.31 g/mol
Exact Mass469.05
IUPAC NameN-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C24H17Cl2NO5/c1-30-19-10-8-14(12-20(19)31-2)23(29)27-24-21(13-7-9-16(25)17(26)11-13)22(28)15-5-3-4-6-18(15)32-24/h3-12H,1-2H3,(H,27,29)
InChIKeyMOVMHZWJNOUOGF-UHFFFAOYSA-N
XLogP6.04
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.31
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-chloro-3-(3,4-dimethoxyphenyl)-4-oxochromen-2-yl]-4-fluorobenzamide
CID 4898865
N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4975081
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide
CID 7678084
N-[3-(3-chlorophenyl)-4-oxochromen-2-yl]benzamide
CID 4910374
N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide
CID 4900984
N-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-2-yl]-4-tert-butylbenzamide
CID 4909608
4-methoxy-N-(3-naphthalen-1-yl-4-oxochromen-2-yl)benzamide
CID 4971299
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide
CID 4898812
3,4,5-trimethoxy-N-(9-oxoxanthen-3-yl)benzamide
CID 4894452
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4-dimethoxybenzamide
CID 17252009

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide (CID 4905865) is N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide?
The InChIKey is MOVMHZWJNOUOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO5/c1-30-19-10-8-14(12-20(19)31-2)23(29)27-24-21(13-7-9-16(25)17(26)11-13)22(28)15-5-3-4-6-18(15)32-24/h3-12H,1-2H3,(H,27,29).
What are the key properties of N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide?
N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide has a molecular weight of 470.31 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 4905865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).