N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide

C10H8ClFN2O2 — CID 168521238

IUPACN-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide
SMILESCOc1ccc(Cl)c(NC(=O)CC#N)c1F
InChIInChI=1S/C10H8ClFN2O2/c1-16-7-3-2-6(11)10(9(7)12)14-8(15)4-5-13/h2-3H,4H2,1H3,(H,14,15)
InChIKeyDOLOMENWDKXQKP-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.34
Rot. Bonds3

About N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide

N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide (PubChem CID 168521238) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide
PubChem CID168521238
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC NameN-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide
SMILESCOc1ccc(Cl)c(NC(=O)CC#N)c1F
InChIInChI=1S/C10H8ClFN2O2/c1-16-7-3-2-6(11)10(9(7)12)14-8(15)4-5-13/h2-3H,4H2,1H3,(H,14,15)
InChIKeyDOLOMENWDKXQKP-UHFFFAOYSA-N
XLogP2.34
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide
CID 168523926
methyl 2-[(2-cyanoacetyl)amino]-5-fluoro-3-methoxybenzoate
CID 168523640
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698
2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide
CID 168521011
N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide
CID 168523742
N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide
CID 168521570
2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide
CID 168521788
2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
2-cyano-N-(2,6-difluorophenyl)acetamide
CID 13174846
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2449668
1-(3-chloro-4-methoxyphenyl)-3-[(2-cyanoacetyl)amino]thiourea
CID 130360991

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide?
The IUPAC name of N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide (CID 168521238) is N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide?
The canonical SMILES for N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide is COc1ccc(Cl)c(NC(=O)CC#N)c1F.
What is the InChIKey of N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide?
The InChIKey is DOLOMENWDKXQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c1-16-7-3-2-6(11)10(9(7)12)14-8(15)4-5-13/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide?
N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide has a molecular weight of 242.64 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide is sourced from PubChem (CID 168521238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).