2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide

C21H23ClN2O3 — CID 55673174

IUPAC2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-4-13-27-17-10-7-15(8-11-17)20(25)23-16-9-12-18(19(22)14-16)21(26)24(5-2)6-3/h4,7-12,14H,1,5-6,13H2,2-3H3,(H,23,25)
InChIKeyFKBCPOLLVCHLTF-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.64
Rot. Bonds8

About 2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide

2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide (PubChem CID 55673174) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide
PubChem CID55673174
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-4-13-27-17-10-7-15(8-11-17)20(25)23-16-9-12-18(19(22)14-16)21(26)24(5-2)6-3/h4,7-12,14H,1,5-6,13H2,2-3H3,(H,23,25)
InChIKeyFKBCPOLLVCHLTF-UHFFFAOYSA-N
XLogP4.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 34746930
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide
CID 55673108
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 34746028
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 17188298
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 34745053
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The IUPAC name of 2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide (CID 55673174) is 2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The canonical SMILES for 2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide is C=CCOc1ccc(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The InChIKey is FKBCPOLLVCHLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-4-13-27-17-10-7-15(8-11-17)20(25)23-16-9-12-18(19(22)14-16)21(26)24(5-2)6-3/h4,7-12,14H,1,5-6,13H2,2-3H3,(H,23,25).
What are the key properties of 2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide?
2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide has a molecular weight of 386.88 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide is sourced from PubChem (CID 55673174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).