2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide

C17H14Cl2FN3O — CID 18131356

IUPAC2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc(C#N)ccc1F
InChIInChI=1S/C17H14Cl2FN3O/c1-23(9-12-6-11(8-21)2-5-16(12)20)10-17(24)22-13-3-4-14(18)15(19)7-13/h2-7H,9-10H2,1H3,(H,22,24)
InChIKeyMEPHDFLQNBVZMN-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.07
Rot. Bonds5

About 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide

2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 18131356) has the molecular formula C17H14Cl2FN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID18131356
Molecular FormulaC17H14Cl2FN3O
Molecular Weight366.22 g/mol
Exact Mass365.05
IUPAC Name2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc(C#N)ccc1F
InChIInChI=1S/C17H14Cl2FN3O/c1-23(9-12-6-11(8-21)2-5-16(12)20)10-17(24)22-13-3-4-14(18)15(19)7-13/h2-7H,9-10H2,1H3,(H,22,24)
InChIKeyMEPHDFLQNBVZMN-UHFFFAOYSA-N
XLogP4.07
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365
N-(5-chloro-2-methoxyphenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
CID 33083968
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17422315
N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
CID 24681265
2-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17423821
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 43442256
N-(4-chlorophenyl)-2-[(3-cyanophenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401819
3-[(3,4-dichloroanilino)methyl]-4-fluorobenzonitrile
CID 28577948
N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196482
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 9043158
2-[3-cyanopropyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 17415308

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide (CID 18131356) is 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cc(C#N)ccc1F.
What is the InChIKey of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is MEPHDFLQNBVZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN3O/c1-23(9-12-6-11(8-21)2-5-16(12)20)10-17(24)22-13-3-4-14(18)15(19)7-13/h2-7H,9-10H2,1H3,(H,22,24).
What are the key properties of 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide?
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 366.22 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 18131356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).