N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide

C19H16ClFN2O3 — CID 18083832

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H16ClFN2O3/c1-22(11-14-15(20)3-2-4-16(14)21)19(26)12-5-7-13(8-6-12)23-17(24)9-10-18(23)25/h2-8H,9-11H2,1H3
InChIKeyNGHWBKUVPALGAL-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.40
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide (PubChem CID 18083832) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
PubChem CID18083832
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H16ClFN2O3/c1-22(11-14-15(20)3-2-4-16(14)21)19(26)12-5-7-13(8-6-12)23-17(24)9-10-18(23)25/h2-8H,9-11H2,1H3
InChIKeyNGHWBKUVPALGAL-UHFFFAOYSA-N
XLogP3.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32757723
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 9171384
N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 36556294
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 30278785
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763351
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60628551
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17463334
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
CID 107951759
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325902

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide (CID 18083832) is N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide?
The InChIKey is NGHWBKUVPALGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-22(11-14-15(20)3-2-4-16(14)21)19(26)12-5-7-13(8-6-12)23-17(24)9-10-18(23)25/h2-8H,9-11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide has a molecular weight of 374.80 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide is sourced from PubChem (CID 18083832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).