2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide

C24H21FN2O4 — CID 57388159

IUPAC2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)C2(c3ccccc3)CC2C(=O)Nc2ccnc(F)c2)cc1OC
InChIInChI=1S/C24H21FN2O4/c1-30-19-9-8-15(12-20(19)31-2)22(28)24(16-6-4-3-5-7-16)14-18(24)23(29)27-17-10-11-26-21(25)13-17/h3-13,18H,14H2,1-2H3,(H,26,27,29)
InChIKeyUROCMIXOPFJCPH-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.02
Rot. Bonds7

About 2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide

2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 57388159) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID57388159
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC Name2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)C2(c3ccccc3)CC2C(=O)Nc2ccnc(F)c2)cc1OC
InChIInChI=1S/C24H21FN2O4/c1-30-19-9-8-15(12-20(19)31-2)22(28)24(16-6-4-3-5-7-16)14-18(24)23(29)27-17-10-11-26-21(25)13-17/h3-13,18H,14H2,1-2H3,(H,26,27,29)
InChIKeyUROCMIXOPFJCPH-UHFFFAOYSA-N
XLogP4.02
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 57388730
2-(3,4-dimethoxybenzoyl)-2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 57388734
N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide
CID 57388194
N-(3,4-dimethoxyphenyl)-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078117
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 67473920
1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide
CID 156750201
1-(3,4-dimethoxyphenyl)-2-fluorocyclopropane-1-carbohydrazide
CID 102069508
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208664
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide (CID 57388159) is 2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide is COc1ccc(C(=O)C2(c3ccccc3)CC2C(=O)Nc2ccnc(F)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is UROCMIXOPFJCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-30-19-9-8-15(12-20(19)31-2)22(28)24(16-6-4-3-5-7-16)14-18(24)23(29)27-17-10-11-26-21(25)13-17/h3-13,18H,14H2,1-2H3,(H,26,27,29).
What are the key properties of 2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 57388159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).