2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide

C17H16ClFN2O3 — CID 55893583

IUPAC2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H16ClFN2O3/c1-21(2)17(23)10-7-8-14(24-3)13(9-10)20-16(22)15-11(18)5-4-6-12(15)19/h4-9H,1-3H3,(H,20,22)
InChIKeyRMPYIJMQRRCLMJ-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.44
Rot. Bonds4

About 2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide

2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide (PubChem CID 55893583) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide
PubChem CID55893583
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H16ClFN2O3/c1-21(2)17(23)10-7-8-14(24-3)13(9-10)20-16(22)15-11(18)5-4-6-12(15)19/h4-9H,1-3H3,(H,20,22)
InChIKeyRMPYIJMQRRCLMJ-UHFFFAOYSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687
2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522627
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-amino-6-chloro-N-(5-chloro-2-methoxyphenyl)benzamide
CID 63659121
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55670093
2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048572
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide
CID 55893966
3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 48796735

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide (CID 55893583) is 2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide?
The InChIKey is RMPYIJMQRRCLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-21(2)17(23)10-7-8-14(24-3)13(9-10)20-16(22)15-11(18)5-4-6-12(15)19/h4-9H,1-3H3,(H,20,22).
What are the key properties of 2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide?
2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide has a molecular weight of 350.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-6-fluorobenzamide is sourced from PubChem (CID 55893583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).