N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide

C19H18ClFN2O2 — CID 166422224

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCc1ccccc1C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H18ClFN2O2/c1-3-18(24)22-11-13-7-4-5-8-14(13)19(25)23(2)12-15-16(20)9-6-10-17(15)21/h3-10H,1,11-12H2,2H3,(H,22,24)
InChIKeyYFDLVQXIOAPDFW-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.55
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide (PubChem CID 166422224) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide
PubChem CID166422224
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide
SMILESC=CC(=O)NCc1ccccc1C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H18ClFN2O2/c1-3-18(24)22-11-13-7-4-5-8-14(13)19(25)23(2)12-15-16(20)9-6-10-17(15)21/h3-10H,1,11-12H2,2H3,(H,22,24)
InChIKeyYFDLVQXIOAPDFW-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 51162479
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55997962
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide (CID 166422224) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide is C=CC(=O)NCc1ccccc1C(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide?
The InChIKey is YFDLVQXIOAPDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-3-18(24)22-11-13-7-4-5-8-14(13)19(25)23(2)12-15-16(20)9-6-10-17(15)21/h3-10H,1,11-12H2,2H3,(H,22,24).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide has a molecular weight of 360.82 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide is sourced from PubChem (CID 166422224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).