2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide

C24H15Cl4N3O3 — CID 139622440

IUPAC2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide
SMILESCCc1cc2cccnc2n(N(C(=O)c2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C24H15Cl4N3O3/c1-2-13-10-14-4-3-9-29-21(14)30(22(13)32)31(23(33)17-7-5-15(25)11-19(17)27)24(34)18-8-6-16(26)12-20(18)28/h3-12H,2H2,1H3
InChIKeyAWYXMPQCZWGFQY-UHFFFAOYSA-N
MW535.21 g/mol
LogP6.19
Rot. Bonds4

About 2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide

2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide (PubChem CID 139622440) has the molecular formula C24H15Cl4N3O3 and a molecular weight of 535.21 g/mol. Its IUPAC name is 2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide
PubChem CID139622440
Molecular FormulaC24H15Cl4N3O3
Molecular Weight535.21 g/mol
Exact Mass532.99
IUPAC Name2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide
SMILESCCc1cc2cccnc2n(N(C(=O)c2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C24H15Cl4N3O3/c1-2-13-10-14-4-3-9-29-21(14)30(22(13)32)31(23(33)17-7-5-15(25)11-19(17)27)24(34)18-8-6-16(26)12-20(18)28/h3-12H,2H2,1H3
InChIKeyAWYXMPQCZWGFQY-UHFFFAOYSA-N
XLogP6.19
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.21
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)-N-propanoylpropanamide
CID 139622725
N-acetyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)acetamide
CID 139622552
N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide
CID 139622487
N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide
CID 139622497
(2,4-dichlorophenyl)-quinolin-8-ylmethanone
CID 115604879
1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one
CID 150602716
N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621143
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619271
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
2-(2,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105088380
N-ethyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 43996164

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide (CID 139622440) is 2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide is CCc1cc2cccnc2n(N(C(=O)c2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of 2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide?
The InChIKey is AWYXMPQCZWGFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl4N3O3/c1-2-13-10-14-4-3-9-29-21(14)30(22(13)32)31(23(33)17-7-5-15(25)11-19(17)27)24(34)18-8-6-16(26)12-20(18)28/h3-12H,2H2,1H3.
What are the key properties of 2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide?
2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide has a molecular weight of 535.21 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide is sourced from PubChem (CID 139622440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).