1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide

C21H16ClFN2O3 — CID 109049860

IUPAC1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1Cl
InChIInChI=1S/C21H16ClFN2O3/c1-28-19-11-10-15(12-16(19)22)24-20(26)13-6-8-14(9-7-13)21(27)25-18-5-3-2-4-17(18)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyRTBGYVAHHBLMHB-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.99
Rot. Bonds5

About 1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide

1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049860) has the molecular formula C21H16ClFN2O3 and a molecular weight of 398.82 g/mol. Its IUPAC name is 1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109049860
Molecular FormulaC21H16ClFN2O3
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC Name1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1Cl
InChIInChI=1S/C21H16ClFN2O3/c1-28-19-11-10-15(12-16(19)22)24-20(26)13-6-8-14(9-7-13)21(27)25-18-5-3-2-4-17(18)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyRTBGYVAHHBLMHB-UHFFFAOYSA-N
XLogP4.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522627
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057416
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
CID 24616144
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide (CID 109049860) is 1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)cc1Cl.
What is the InChIKey of 1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is RTBGYVAHHBLMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O3/c1-28-19-11-10-15(12-16(19)22)24-20(26)13-6-8-14(9-7-13)21(27)25-18-5-3-2-4-17(18)23/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide?
1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 398.82 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).