N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide

C18H17FN4O2 — CID 95774319

IUPACN-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide
SMILESCN(C)C(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccccc2F)c1
InChIInChI=1S/C18H17FN4O2/c1-23(2)18(25)21-13-7-5-6-12(10-13)17(24)22-16(11-20)14-8-3-4-9-15(14)19/h3-10,16H,1-2H3,(H,21,25)(H,22,24)/t16-/m0/s1
InChIKeyVHIAIAYHSSULSE-INIZCTEOSA-N
MW340.36 g/mol
LogP2.91
Rot. Bonds4

About N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide

N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide (PubChem CID 95774319) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide
PubChem CID95774319
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide
SMILESCN(C)C(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccccc2F)c1
InChIInChI=1S/C18H17FN4O2/c1-23(2)18(25)21-13-7-5-6-12(10-13)17(24)22-16(11-20)14-8-3-4-9-15(14)19/h3-10,16H,1-2H3,(H,21,25)(H,22,24)/t16-/m0/s1
InChIKeyVHIAIAYHSSULSE-INIZCTEOSA-N
XLogP2.91
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano-(2-methylphenyl)methyl]-3-fluorobenzamide
CID 82123284
N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572178
N-[cyano-(2-fluorophenyl)methyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 56514875
3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide
CID 56585745
2-bromo-N-[(S)-cyano-(2-fluorophenyl)methyl]benzamide
CID 96533894
N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 56516682
N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide
CID 87009194
(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
CID 95617372
N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 56515395
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285
3-bromo-N-[cyano-(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 56572153
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide?
The IUPAC name of N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide (CID 95774319) is N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide?
The canonical SMILES for N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide is CN(C)C(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccccc2F)c1.
What is the InChIKey of N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide?
The InChIKey is VHIAIAYHSSULSE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-23(2)18(25)21-13-7-5-6-12(10-13)17(24)22-16(11-20)14-8-3-4-9-15(14)19/h3-10,16H,1-2H3,(H,21,25)(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide?
N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide has a molecular weight of 340.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(dimethylcarbamoylamino)benzamide is sourced from PubChem (CID 95774319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).